cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

C16H17Cl2N3OS — CID 96564542

About cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 96564542) has the molecular formula C16H17Cl2N3OS and a molecular weight of 370.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 96564542
• Molecular Formula: C16H17Cl2N3OS
• Molecular Weight: 370.31 g/mol
• Exact Mass: 369.05
• IUPAC Name: cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
• SMILES: CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1
• InChI: InChI=1S/C16H17Cl2N3OS/c1-8(2)3-14-20-21-16(23-14)19-15(22)13-7-12(13)9-4-10(17)6-11(18)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,19,21,22)/t12-,13-/m1/s1
• InChIKey: ZDMGDOXRFHUUNG-CHWSQXEVSA-N
• XLogP: 4.79
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.31
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (CID 96564542) is cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is CC(C)Cc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1.

What is the InChIKey of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?

The InChIKey is ZDMGDOXRFHUUNG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H17Cl2N3OS/c1-8(2)3-14-20-21-16(23-14)19-15(22)13-7-12(13)9-4-10(17)6-11(18)5-9/h4-6,8,12-13H,3,7H2,1-2H3,(H,19,21,22)/t12-,13-/m1/s1.

What are the key properties of cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?

cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 370.31 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-2-(3,5-dichlorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 96564542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).