N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide

C14H19N3O2S2 — CID 90701484

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C14H19N3O2S2/c1-5-10(18)17-13-16-7-12(21-13)20-8-11-15-6-9(19-11)14(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyUCJFXVLPDMWKTH-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.07
Rot. Bonds5

About N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 90701484) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
PubChem CID90701484
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C14H19N3O2S2/c1-5-10(18)17-13-16-7-12(21-13)20-8-11-15-6-9(19-11)14(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyUCJFXVLPDMWKTH-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]pentanamide
CID 122692246
methyl 3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]-3-oxopropanoate
CID 87531460
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-N'-hydroxyhexanediamide
CID 25226004
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]-2-(2,4-difluorophenyl)acetamide
CID 22970899
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
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]-2-[3-[[(2-hydroxy-2-methylpropyl)amino]methyl]phenyl]acetamide
CID 59962049
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-[4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]phenyl]acetamide
CID 25026365
(3S,5R)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-5-methylpiperidine-3-carboxamide
CID 44563194
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 170952739

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]propanamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide (CID 90701484) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is UCJFXVLPDMWKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-5-10(18)17-13-16-7-12(21-13)20-8-11-15-6-9(19-11)14(2,3)4/h6-7H,5,8H2,1-4H3,(H,16,17,18).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 325.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]propanamide is sourced from PubChem (CID 90701484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).