N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C16H21N7O2S — CID 71964489

About N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 71964489) has the molecular formula C16H21N7O2S and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
• PubChem CID: 71964489
• Molecular Formula: C16H21N7O2S
• Molecular Weight: 375.46 g/mol
• Exact Mass: 375.15
• IUPAC Name: N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
• SMILES: Cc1cnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)s1
• InChI: InChI=1S/C16H21N7O2S/c1-11-10-19-15(26-11)21-13(24)12(2)20-16(25)23-8-6-22(7-9-23)14-17-4-3-5-18-14/h3-5,10,12H,6-9H2,1-2H3,(H,20,25)(H,19,21,24)/t12-/m0/s1
• InChIKey: MQIBGUCRMDZSQD-LBPRGKRZSA-N
• XLogP: 1.10
• TPSA: 103.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.46
LogP ≤ 5	1.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?

The IUPAC name of N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 71964489) is N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

What is the SMILES notation for N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?

The canonical SMILES for N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is Cc1cnc(NC(=O)[C@H](C)NC(=O)N2CCN(c3ncccn3)CC2)s1.

What is the InChIKey of N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?

The InChIKey is MQIBGUCRMDZSQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N7O2S/c1-11-10-19-15(26-11)21-13(24)12(2)20-16(25)23-8-6-22(7-9-23)14-17-4-3-5-18-14/h3-5,10,12H,6-9H2,1-2H3,(H,20,25)(H,19,21,24)/t12-/m0/s1.

What are the key properties of N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?

N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71964489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).