5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide

C17H16ClN5OS — CID 67459860

IUPAC5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESCC(C)(Nc1ncc(-c2ccc(C(N)=O)s2)cn1)c1ncccc1Cl
InChIInChI=1S/C17H16ClN5OS/c1-17(2,14-11(18)4-3-7-20-14)23-16-21-8-10(9-22-16)12-5-6-13(25-12)15(19)24/h3-9H,1-2H3,(H2,19,24)(H,21,22,23)
InChIKeyRMVIJMAAWMIFNS-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.70
Rot. Bonds5

About 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide

5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 67459860) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID67459860
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESCC(C)(Nc1ncc(-c2ccc(C(N)=O)s2)cn1)c1ncccc1Cl
InChIInChI=1S/C17H16ClN5OS/c1-17(2,14-11(18)4-3-7-20-14)23-16-21-8-10(9-22-16)12-5-6-13(25-12)15(19)24/h3-9H,1-2H3,(H2,19,24)(H,21,22,23)
InChIKeyRMVIJMAAWMIFNS-UHFFFAOYSA-N
XLogP3.70
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-5-[3-methyl-4-(2-methylidenehydrazinyl)phenyl]pyrimidin-2-amine
CID 134320388
5-pyridin-3-ylthiophene-2-carboxamide
CID 142116945
5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
1-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyrazole-4-carbonitrile
CID 67451931
N-[2-(3-chloro-2-pyridinyl)propan-2-yl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 67453733
5-(5-chlorothiophen-2-yl)-N-methylpyrimidin-2-amine
CID 116976967
2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
CID 169026548
5-(1,3-thiazol-2-yl)thiophene-2-carboxamide;hydrochloride
CID 70043365
5-(6-amino-3-pyridinyl)-N-propan-2-ylthiophene-2-carboxamide
CID 151586572
1-fluorobutyl 3-amino-2-(3-chloro-2-pyridinyl)-2-methylpropanoate
CID 146368562
2-(pyridine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 22262890
(2R)-2-[(5-pyridin-3-ylthiophene-2-carbonyl)amino]propanoic acid
CID 100651621

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide (CID 67459860) is 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide is CC(C)(Nc1ncc(-c2ccc(C(N)=O)s2)cn1)c1ncccc1Cl.
What is the InChIKey of 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is RMVIJMAAWMIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-17(2,14-11(18)4-3-7-20-14)23-16-21-8-10(9-22-16)12-5-6-13(25-12)15(19)24/h3-9H,1-2H3,(H2,19,24)(H,21,22,23).
What are the key properties of 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide?
5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67459860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).