N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride

C15H20Cl2N4O2S2 — CID 119554477

About N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride

N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride (PubChem CID 119554477) has the molecular formula C15H20Cl2N4O2S2 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
• PubChem CID: 119554477
• Molecular Formula: C15H20Cl2N4O2S2
• Molecular Weight: 423.39 g/mol
• Exact Mass: 422.04
• IUPAC Name: N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
• SMILES: CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCNC1.Cl.Cl
• InChI: InChI=1S/C15H18N4O2S2.2ClH/c1-19(11-4-5-16-8-11)13(20)7-10-9-23-15(17-10)18-14(21)12-3-2-6-22-12;;/h2-3,6,9,11,16H,4-5,7-8H2,1H3,(H,17,18,21);2*1H
• InChIKey: GIPPIESOQZATPV-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.39
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?

The IUPAC name of N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride (CID 119554477) is N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride.

What is the SMILES notation for N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?

The canonical SMILES for N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride is CN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)C1CCNC1.Cl.Cl.

What is the InChIKey of N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?

The InChIKey is GIPPIESOQZATPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2.2ClH/c1-19(11-4-5-16-8-11)13(20)7-10-9-23-15(17-10)18-14(21)12-3-2-6-22-12;;/h2-3,6,9,11,16H,4-5,7-8H2,1H3,(H,17,18,21);2*1H.

What are the key properties of N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?

N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride has a molecular weight of 423.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119554477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).