N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

C19H17N7O2S — CID 146024002

About N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide

N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (PubChem CID 146024002) has the molecular formula C19H17N7O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
• PubChem CID: 146024002
• Molecular Formula: C19H17N7O2S
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.12
• IUPAC Name: N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCCc1nc2ccccc2[nH]1
• InChI: InChI=1S/C19H17N7O2S/c27-16(20-9-6-15-24-13-4-1-2-5-14(13)25-15)10-12-11-29-19(23-12)26-18(28)17-21-7-3-8-22-17/h1-5,7-8,11H,6,9-10H2,(H,20,27)(H,24,25)(H,23,26,28)
• InChIKey: KWXZBZNHVZIJLG-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 125.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?

The IUPAC name of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide (CID 146024002) is N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?

The canonical SMILES for N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is O=C(Cc1csc(NC(=O)c2ncccn2)n1)NCCc1nc2ccccc2[nH]1.

What is the InChIKey of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?

The InChIKey is KWXZBZNHVZIJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S/c27-16(20-9-6-15-24-13-4-1-2-5-14(13)25-15)10-12-11-29-19(23-12)26-18(28)17-21-7-3-8-22-17/h1-5,7-8,11H,6,9-10H2,(H,20,27)(H,24,25)(H,23,26,28).

What are the key properties of N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide?

N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 146024002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).