N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine

C18H23N5S — CID 129339515

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine (PubChem CID 129339515) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine.

Molecular Properties

• Compound Name: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
• PubChem CID: 129339515
• Molecular Formula: C18H23N5S
• Molecular Weight: 341.48 g/mol
• Exact Mass: 341.17
• IUPAC Name: N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
• SMILES: Cc1ncsc1CN(Cc1cn2ccccc2n1)C[C@H]1CCNC1
• InChI: InChI=1S/C18H23N5S/c1-14-17(24-13-20-14)12-22(9-15-5-6-19-8-15)10-16-11-23-7-3-2-4-18(23)21-16/h2-4,7,11,13,15,19H,5-6,8-10,12H2,1H3/t15-/m0/s1
• InChIKey: OTBRVJNZIGMWAS-HNNXBMFYSA-N
• XLogP: 2.71
• TPSA: 45.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.48
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?

The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine (CID 129339515) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine.

What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?

The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine is Cc1ncsc1CN(Cc1cn2ccccc2n1)C[C@H]1CCNC1.

What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?

The InChIKey is OTBRVJNZIGMWAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-14-17(24-13-20-14)12-22(9-15-5-6-19-8-15)10-16-11-23-7-3-2-4-18(23)21-16/h2-4,7,11,13,15,19H,5-6,8-10,12H2,1H3/t15-/m0/s1.

What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine?

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine has a molecular weight of 341.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 129339515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).