1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C23H21ClN2OS — CID 7915551

About 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 7915551) has the molecular formula C23H21ClN2OS and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 7915551
• Molecular Formula: C23H21ClN2OS
• Molecular Weight: 408.95 g/mol
• Exact Mass: 408.11
• IUPAC Name: 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1(c2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C23H21ClN2OS/c24-19-9-7-18(8-10-19)23(11-12-23)21(27)26-22-25-20(14-28-22)17-6-5-15-3-1-2-4-16(15)13-17/h5-10,13-14H,1-4,11-12H2,(H,25,26,27)
• InChIKey: WULINMRHQHZSAW-UHFFFAOYSA-N
• XLogP: 6.01
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.95
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 7915551) is 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)C1(c2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

The InChIKey is WULINMRHQHZSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2OS/c24-19-9-7-18(8-10-19)23(11-12-23)21(27)26-22-25-20(14-28-22)17-6-5-15-3-1-2-4-16(15)13-17/h5-10,13-14H,1-4,11-12H2,(H,25,26,27).

What are the key properties of 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?

1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 408.95 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 7915551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).