N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

C18H19ClN4O2S — CID 2549596

IUPACN-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C18H19ClN4O2S/c1-2-22(11-15-9-17(25)23-7-8-26-18(23)21-15)12-16(24)20-10-13-3-5-14(19)6-4-13/h3-9H,2,10-12H2,1H3,(H,20,24)
InChIKeyXFHALGNXZODRDS-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.55
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 2549596) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID2549596
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C18H19ClN4O2S/c1-2-22(11-15-9-17(25)23-7-8-26-18(23)21-15)12-16(24)20-10-13-3-5-14(19)6-4-13/h3-9H,2,10-12H2,1H3,(H,20,24)
InChIKeyXFHALGNXZODRDS-UHFFFAOYSA-N
XLogP2.55
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Chlorophenyl)-7-methyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 319068
N-(4-chlorobenzyl)-2-[(6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 2368008
4-{[(5R,6S)-5,6-Bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}piperazin-2-one
CID 24968164
4-[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
CID 58006857
4-[5,6-Bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
CID 58007119
4-[(5R,6S)-5,6-bis(4-chlorophenyl)-3-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carbonyl]piperazin-2-one
CID 58007477
2-{[1-allyl-4-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-propylacetamide
CID 1820077
2-chloro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2380034
N-tert-butyl-2-[ethyl-[(5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 2467500
N-[(4-chlorophenyl)methyl]-7-oxo-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 4232558
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4880188
N-({1-[(4-Chlorophenyl)methyl]piperidin-4-YL}methyl)-7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-sulfonamide
CID 23004560

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 2549596) is N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is XFHALGNXZODRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-2-22(11-15-9-17(25)23-7-8-26-18(23)21-15)12-16(24)20-10-13-3-5-14(19)6-4-13/h3-9H,2,10-12H2,1H3,(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 390.90 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 2549596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).