5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide

C15H15ClN6OS — CID 122289893

IUPAC5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccc(Cl)s2)cc(-n2cccn2)n1
InChIInChI=1S/C15H15ClN6OS/c1-10-20-13(9-14(21-10)22-8-2-5-19-22)17-6-7-18-15(23)11-3-4-12(16)24-11/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H,17,20,21)
InChIKeyQNKBHUGSNWUMNX-UHFFFAOYSA-N
MW362.85 g/mol
LogP2.53
Rot. Bonds6

About 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide

5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 122289893) has the molecular formula C15H15ClN6OS and a molecular weight of 362.85 g/mol. Its IUPAC name is 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
PubChem CID122289893
Molecular FormulaC15H15ClN6OS
Molecular Weight362.85 g/mol
Exact Mass362.07
IUPAC Name5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide
SMILESCc1nc(NCCNC(=O)c2ccc(Cl)s2)cc(-n2cccn2)n1
InChIInChI=1S/C15H15ClN6OS/c1-10-20-13(9-14(21-10)22-8-2-5-19-22)17-6-7-18-15(23)11-3-4-12(16)24-11/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H,17,20,21)
InChIKeyQNKBHUGSNWUMNX-UHFFFAOYSA-N
XLogP2.53
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide (CID 122289893) is 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide is Cc1nc(NCCNC(=O)c2ccc(Cl)s2)cc(-n2cccn2)n1.
What is the InChIKey of 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is QNKBHUGSNWUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6OS/c1-10-20-13(9-14(21-10)22-8-2-5-19-22)17-6-7-18-15(23)11-3-4-12(16)24-11/h2-5,8-9H,6-7H2,1H3,(H,18,23)(H,17,20,21).
What are the key properties of 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 122289893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).