N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C14H15N5OS3 — CID 70755049

About N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70755049) has the molecular formula C14H15N5OS3 and a molecular weight of 365.51 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
• PubChem CID: 70755049
• Molecular Formula: C14H15N5OS3
• Molecular Weight: 365.51 g/mol
• Exact Mass: 365.04
• IUPAC Name: N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCCSc3nnc(C)s3)n[nH]2)s1
• InChI: InChI=1S/C14H15N5OS3/c1-8-3-4-12(22-8)10-7-11(18-17-10)13(20)15-5-6-21-14-19-16-9(2)23-14/h3-4,7H,5-6H2,1-2H3,(H,15,20)(H,17,18)
• InChIKey: HNPKIXGKWYGXAV-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.51
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 70755049) is N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCSc3nnc(C)s3)n[nH]2)s1.

What is the InChIKey of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

The InChIKey is HNPKIXGKWYGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS3/c1-8-3-4-12(22-8)10-7-11(18-17-10)13(20)15-5-6-21-14-19-16-9(2)23-14/h3-4,7H,5-6H2,1-2H3,(H,15,20)(H,17,18).

What are the key properties of N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 365.51 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70755049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).