N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide

C23H30N4O4S2 — CID 25026365

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC[C@H](O)CO)cc3)s2)o1
InChIInChI=1S/C23H30N4O4S2/c1-23(2,3)18-11-25-20(31-18)14-32-21-12-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-10-17(29)13-28/h4-7,11-12,17,24,28-29H,8-10,13-14H2,1-3H3,(H,26,27,30)/t17-/m0/s1
InChIKeyUMHCRPZAZCPQDN-KRWDZBQOSA-N
MW490.65 g/mol
LogP3.34
Rot. Bonds11

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide (PubChem CID 25026365) has the molecular formula C23H30N4O4S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide
PubChem CID25026365
Molecular FormulaC23H30N4O4S2
Molecular Weight490.65 g/mol
Exact Mass490.17
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide
SMILESCC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC[C@H](O)CO)cc3)s2)o1
InChIInChI=1S/C23H30N4O4S2/c1-23(2,3)18-11-25-20(31-18)14-32-21-12-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-10-17(29)13-28/h4-7,11-12,17,24,28-29H,8-10,13-14H2,1-3H3,(H,26,27,30)/t17-/m0/s1
InChIKeyUMHCRPZAZCPQDN-KRWDZBQOSA-N
XLogP3.34
TPSA120.51 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[1-(2-hydroxyethylamino)ethyl]phenyl]acetamide
CID 22006964
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-(2,4-difluorophenyl)acetamide
CID 22970899
3-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-hydroxypropanamide
CID 25226544
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
CID 90701484
methyl 2-[bis[[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]methyl]amino]acetate
CID 22971205
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide
CID 59962049
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]acetamide
CID 59913244
methyl 3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 87531460
1-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 22970811
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
CID 122692246
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
CID 25226004
4-[4-[2-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]-N-pyridin-2-ylbutanamide
CID 46830544

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide (CID 25026365) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide is CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC[C@H](O)CO)cc3)s2)o1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide?
The InChIKey is UMHCRPZAZCPQDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N4O4S2/c1-23(2,3)18-11-25-20(31-18)14-32-21-12-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-10-17(29)13-28/h4-7,11-12,17,24,28-29H,8-10,13-14H2,1-3H3,(H,26,27,30)/t17-/m0/s1.
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide has a molecular weight of 490.65 g/mol, XLogP of 3.34, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 25026365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).