tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid

C16H20N4O3S2 — CID 118433090

About tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid

tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid (PubChem CID 118433090) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid
• PubChem CID: 118433090
• Molecular Formula: C16H20N4O3S2
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.10
• IUPAC Name: tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid
• SMILES: Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3N(C(=O)O)C(C)(C)C)cs2)s1
• InChI: InChI=1S/C16H20N4O3S2/c1-8-18-19-14(25-8)17-13(21)12-5-9(7-24-12)10-6-11(10)20(15(22)23)16(2,3)4/h5,7,10-11H,6H2,1-4H3,(H,22,23)(H,17,19,21)/t10-,11+/m0/s1
• InChIKey: ASWAAXFKJKLYEW-WDEREUQCSA-N
• XLogP: 3.79
• TPSA: 95.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid?

The IUPAC name of tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid (CID 118433090) is tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid.

What is the SMILES notation for tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid?

The canonical SMILES for tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid is Cc1nnc(NC(=O)c2cc([C@@H]3C[C@H]3N(C(=O)O)C(C)(C)C)cs2)s1.

What is the InChIKey of tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid?

The InChIKey is ASWAAXFKJKLYEW-WDEREUQCSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-8-18-19-14(25-8)17-13(21)12-5-9(7-24-12)10-6-11(10)20(15(22)23)16(2,3)4/h5,7,10-11H,6H2,1-4H3,(H,22,23)(H,17,19,21)/t10-,11+/m0/s1.

What are the key properties of tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid?

tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid has a molecular weight of 380.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,2S)-2-[5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]thiophen-3-yl]cyclopropyl]carbamic acid is sourced from PubChem (CID 118433090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).