N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide

C26H29N5O3S — CID 155037412

About N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide

N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide (PubChem CID 155037412) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide
• PubChem CID: 155037412
• Molecular Formula: C26H29N5O3S
• Molecular Weight: 491.62 g/mol
• Exact Mass: 491.20
• IUPAC Name: N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide
• SMILES: CCCC1C=CC(C(=O)N[C@@H](COC)C(=O)Nc2nc(-c3cccc(-c4ccn(C)n4)c3)cs2)=C1
• InChI: InChI=1S/C26H29N5O3S/c1-4-6-17-9-10-20(13-17)24(32)27-22(15-34-3)25(33)29-26-28-23(16-35-26)19-8-5-7-18(14-19)21-11-12-31(2)30-21/h5,7-14,16-17,22H,4,6,15H2,1-3H3,(H,27,32)(H,28,29,33)/t17?,22-/m0/s1
• InChIKey: AMFOIOUNOLZEGX-UGNFMNBCSA-N
• XLogP: 4.19
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.62
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide?

The IUPAC name of N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide (CID 155037412) is N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide.

What is the SMILES notation for N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide?

The canonical SMILES for N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide is CCCC1C=CC(C(=O)N[C@@H](COC)C(=O)Nc2nc(-c3cccc(-c4ccn(C)n4)c3)cs2)=C1.

What is the InChIKey of N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide?

The InChIKey is AMFOIOUNOLZEGX-UGNFMNBCSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-4-6-17-9-10-20(13-17)24(32)27-22(15-34-3)25(33)29-26-28-23(16-35-26)19-8-5-7-18(14-19)21-11-12-31(2)30-21/h5,7-14,16-17,22H,4,6,15H2,1-3H3,(H,27,32)(H,28,29,33)/t17?,22-/m0/s1.

What are the key properties of N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide?

N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-methoxy-1-[[4-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-3-propylcyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 155037412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).