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

C13H18Cl2N4O2S2 — CID 120507248

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

N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride (PubChem CID 120507248) has the molecular formula C13H18Cl2N4O2S2 and a molecular weight of 397.35 g/mol. Its IUPAC name is N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
• PubChem CID: 120507248
• Molecular Formula: C13H18Cl2N4O2S2
• Molecular Weight: 397.35 g/mol
• Exact Mass: 396.02
• IUPAC Name: N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
• SMILES: C[C@@H](CN)NC(=O)Cc1csc(NC(=O)c2cccs2)n1.Cl.Cl
• InChI: InChI=1S/C13H16N4O2S2.2ClH/c1-8(6-14)15-11(18)5-9-7-21-13(16-9)17-12(19)10-3-2-4-20-10;;/h2-4,7-8H,5-6,14H2,1H3,(H,15,18)(H,16,17,19);2*1H/t8-;;/m0../s1
• InChIKey: YNPDCOVWXMXGMB-JZGIKJSDSA-N
• XLogP: 2.31
• TPSA: 97.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.35
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride (CID 120507248) is N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride.

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

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

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

The InChIKey is YNPDCOVWXMXGMB-JZGIKJSDSA-N. The full InChI is InChI=1S/C13H16N4O2S2.2ClH/c1-8(6-14)15-11(18)5-9-7-21-13(16-9)17-12(19)10-3-2-4-20-10;;/h2-4,7-8H,5-6,14H2,1H3,(H,15,18)(H,16,17,19);2*1H/t8-;;/m0../s1.

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

N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120507248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).