N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide

C15H17N5O3S2 — CID 135472815

IUPACN-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide
SMILESNc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1cccs1
InChIInChI=1S/C15H17N5O3S2/c16-12-11(17-13(22)9-4-3-7-24-9)14(23)19-15(18-12)25-8-10(21)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,17,22)(H3,16,18,19,23)
InChIKeyKOYQFWQGCCVMSQ-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.38
Rot. Bonds5

About N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide

N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 135472815) has the molecular formula C15H17N5O3S2 and a molecular weight of 379.47 g/mol. Its IUPAC name is N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID135472815
Molecular FormulaC15H17N5O3S2
Molecular Weight379.47 g/mol
Exact Mass379.08
IUPAC NameN-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide
SMILESNc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1cccs1
InChIInChI=1S/C15H17N5O3S2/c16-12-11(17-13(22)9-4-3-7-24-9)14(23)19-15(18-12)25-8-10(21)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,17,22)(H3,16,18,19,23)
InChIKeyKOYQFWQGCCVMSQ-UHFFFAOYSA-N
XLogP1.38
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide 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-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide (CID 135472815) is N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide is Nc1nc(SCC(=O)N2CCCC2)[nH]c(=O)c1NC(=O)c1cccs1.
What is the InChIKey of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is KOYQFWQGCCVMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S2/c16-12-11(17-13(22)9-4-3-7-24-9)14(23)19-15(18-12)25-8-10(21)20-5-1-2-6-20/h3-4,7H,1-2,5-6,8H2,(H,17,22)(H3,16,18,19,23).
What are the key properties of N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide?
N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 379.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 135472815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).