N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C16H16N4O3S2 — CID 137294372

About N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 137294372) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
• PubChem CID: 137294372
• Molecular Formula: C16H16N4O3S2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.07
• IUPAC Name: N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide
• SMILES: CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCNC(=O)c1cccs1
• InChI: InChI=1S/C16H16N4O3S2/c1-20(9-12-18-10-5-8-25-14(10)16(23)19-12)13(21)4-6-17-15(22)11-3-2-7-24-11/h2-3,5,7-8H,4,6,9H2,1H3,(H,17,22)(H,18,19,23)
• InChIKey: SOOHBDPJKCDHLZ-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 137294372) is N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCNC(=O)c1cccs1.

What is the InChIKey of N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?

The InChIKey is SOOHBDPJKCDHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-20(9-12-18-10-5-8-25-14(10)16(23)19-12)13(21)4-6-17-15(22)11-3-2-7-24-11/h2-3,5,7-8H,4,6,9H2,1H3,(H,17,22)(H,18,19,23).

What are the key properties of N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide?

N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 137294372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).