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

C14H14N4O2S — CID 118732131

IUPAC2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O
InChIInChI=1S/C14H14N4O2S/c1-7-11(12(15)19)21-14(17-7)9-4-5-16-10(6-9)18-13(20)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,19)(H,16,18,20)
InChIKeyCOJGGUXHTPMAQV-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.96
Rot. Bonds4

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

2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118732131) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID118732131
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O
InChIInChI=1S/C14H14N4O2S/c1-7-11(12(15)19)21-14(17-7)9-4-5-16-10(6-9)18-13(20)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,19)(H,16,18,20)
InChIKeyCOJGGUXHTPMAQV-UHFFFAOYSA-N
XLogP1.96
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.96
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]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 118732131) is 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccnc(NC(=O)C3CC3)c2)sc1C(N)=O.
What is the InChIKey of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is COJGGUXHTPMAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-7-11(12(15)19)21-14(17-7)9-4-5-16-10(6-9)18-13(20)8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,15,19)(H,16,18,20).
What are the key properties of 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.96, 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]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118732131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).