4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C14H17N5OS — CID 116666657

IUPAC4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(NC2CCC2)nc1N)c1cccnc1
InChIInChI=1S/C14H17N5OS/c1-19(10-6-3-7-16-8-10)13(20)11-12(15)18-14(21-11)17-9-4-2-5-9/h3,6-9H,2,4-5,15H2,1H3,(H,17,18)
InChIKeyGWWVHNAMYSZNDZ-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.36
Rot. Bonds4

About 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 116666657) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID116666657
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCN(C(=O)c1sc(NC2CCC2)nc1N)c1cccnc1
InChIInChI=1S/C14H17N5OS/c1-19(10-6-3-7-16-8-10)13(20)11-12(15)18-14(21-11)17-9-4-2-5-9/h3,6-9H,2,4-5,15H2,1H3,(H,17,18)
InChIKeyGWWVHNAMYSZNDZ-UHFFFAOYSA-N
XLogP2.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 116666657) is 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is CN(C(=O)c1sc(NC2CCC2)nc1N)c1cccnc1.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GWWVHNAMYSZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-19(10-6-3-7-16-8-10)13(20)11-12(15)18-14(21-11)17-9-4-2-5-9/h3,6-9H,2,4-5,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).