N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

C16H18N4O2S3 — CID 75117631

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCc1cnc(NC(=O)CSCC2=NC(=O)C3C=C(C(C)C)SC3=N2)s1
InChIInChI=1S/C16H18N4O2S3/c1-8(2)11-4-10-14(22)18-12(19-15(10)25-11)6-23-7-13(21)20-16-17-5-9(3)24-16/h4-5,8,10H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyBCWSVZUQUNWKSD-UHFFFAOYSA-N
MW394.55 g/mol
LogP3.36
Rot. Bonds6

About N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide (PubChem CID 75117631) has the molecular formula C16H18N4O2S3 and a molecular weight of 394.55 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
PubChem CID75117631
Molecular FormulaC16H18N4O2S3
Molecular Weight394.55 g/mol
Exact Mass394.06
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCc1cnc(NC(=O)CSCC2=NC(=O)C3C=C(C(C)C)SC3=N2)s1
InChIInChI=1S/C16H18N4O2S3/c1-8(2)11-4-10-14(22)18-12(19-15(10)25-11)6-23-7-13(21)20-16-17-5-9(3)24-16/h4-5,8,10H,6-7H2,1-3H3,(H,17,20,21)
InChIKeyBCWSVZUQUNWKSD-UHFFFAOYSA-N
XLogP3.36
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide (CID 75117631) is N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide is Cc1cnc(NC(=O)CSCC2=NC(=O)C3C=C(C(C)C)SC3=N2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
The InChIKey is BCWSVZUQUNWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S3/c1-8(2)11-4-10-14(22)18-12(19-15(10)25-11)6-23-7-13(21)20-16-17-5-9(3)24-16/h4-5,8,10H,6-7H2,1-3H3,(H,17,20,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide has a molecular weight of 394.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[(4-oxo-6-propan-2-yl-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 75117631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).