2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide

C13H12N4O2S — CID 118732130

IUPAC2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2ccnc(NC(=O)C3CC3)c2)s1
InChIInChI=1S/C13H12N4O2S/c14-11(18)9-6-16-13(20-9)8-3-4-15-10(5-8)17-12(19)7-1-2-7/h3-7H,1-2H2,(H2,14,18)(H,15,17,19)
InChIKeyWRFUAJSBVQTSLV-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.65
Rot. Bonds4

About 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 118732130) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID118732130
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2ccnc(NC(=O)C3CC3)c2)s1
InChIInChI=1S/C13H12N4O2S/c14-11(18)9-6-16-13(20-9)8-3-4-15-10(5-8)17-12(19)7-1-2-7/h3-7H,1-2H2,(H2,14,18)(H,15,17,19)
InChIKeyWRFUAJSBVQTSLV-UHFFFAOYSA-N
XLogP1.65
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide (CID 118732130) is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(-c2ccnc(NC(=O)C3CC3)c2)s1.
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WRFUAJSBVQTSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-11(18)9-6-16-13(20-9)8-3-4-15-10(5-8)17-12(19)7-1-2-7/h3-7H,1-2H2,(H2,14,18)(H,15,17,19).
What are the key properties of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118732130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).