2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide

C14H20N4O2S — CID 42914005

IUPAC2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C14H20N4O2S/c1-4-5-15-12(19)8-17(3)7-11-6-13(20)18-10(2)9-21-14(18)16-11/h6,9H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyPLYGHIQKYVONDI-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.02
Rot. Bonds6

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

2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide (PubChem CID 42914005) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
PubChem CID42914005
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C14H20N4O2S/c1-4-5-15-12(19)8-17(3)7-11-6-13(20)18-10(2)9-21-14(18)16-11/h6,9H,4-5,7-8H2,1-3H3,(H,15,19)
InChIKeyPLYGHIQKYVONDI-UHFFFAOYSA-N
XLogP1.02
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)propionamide
CID 16933444
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butyramide
CID 16933414
N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)pivalamide
CID 16933515
N-(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933517
N-(3,6-dimethyl-4-oxo-1-thia-3a,7-diaza-5-indenyl)propionamide
CID 16933547
2-{[7-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]thio}-N-(3-methylphenyl)acetamide
CID 53019444
N,N-diethyl-2-(4-hydroxy-6-methylpyrimidin-2-ylthio)acetamide
CID 135426208
N-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetamide
CID 60465368
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 9450944
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)pivalamide
CID 16933412
N-(3-Methoxypropyl)-2-[methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]acetamide
CID 18147159

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide (CID 42914005) is 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
The InChIKey is PLYGHIQKYVONDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-5-15-12(19)8-17(3)7-11-6-13(20)18-10(2)9-21-14(18)16-11/h6,9H,4-5,7-8H2,1-3H3,(H,15,19).
What are the key properties of 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide?
2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide has a molecular weight of 308.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 42914005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).