cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C14H15N3OS2 — CID 97071554

About cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 97071554) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 97071554
• Molecular Formula: C14H15N3OS2
• Molecular Weight: 305.43 g/mol
• Exact Mass: 305.07
• IUPAC Name: cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(C3CC3)s2)s1
• InChI: InChI=1S/C14H15N3OS2/c1-7-2-5-11(19-7)9-6-10(9)12(18)15-14-17-16-13(20-14)8-3-4-8/h2,5,8-10H,3-4,6H2,1H3,(H,15,17,18)/t9-,10+/m0/s1
• InChIKey: BUTJRPHMCHOHGY-VHSXEESVSA-N
• XLogP: 3.53
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.43
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 97071554) is cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

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

The canonical SMILES for cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc([C@H]2C[C@H]2C(=O)Nc2nnc(C3CC3)s2)s1.

What is the InChIKey of cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?

The InChIKey is BUTJRPHMCHOHGY-VHSXEESVSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-7-2-5-11(19-7)9-6-10(9)12(18)15-14-17-16-13(20-14)8-3-4-8/h2,5,8-10H,3-4,6H2,1H3,(H,15,17,18)/t9-,10+/m0/s1.

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

cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97071554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).