N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide

C16H19FN4OS — CID 162375240

IUPACN-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(N(C)c2nc(C(=O)NC3CCC3)c(C)s2)cc(F)n1
InChIInChI=1S/C16H19FN4OS/c1-9-7-12(8-13(17)18-9)21(3)16-20-14(10(2)23-16)15(22)19-11-5-4-6-11/h7-8,11H,4-6H2,1-3H3,(H,19,22)
InChIKeyJAWBKYJZGRPABV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.34
Rot. Bonds4

About N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide

N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 162375240) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID162375240
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC NameN-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1cc(N(C)c2nc(C(=O)NC3CCC3)c(C)s2)cc(F)n1
InChIInChI=1S/C16H19FN4OS/c1-9-7-12(8-13(17)18-9)21(3)16-20-14(10(2)23-16)15(22)19-11-5-4-6-11/h7-8,11H,4-6H2,1-3H3,(H,19,22)
InChIKeyJAWBKYJZGRPABV-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331425
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
N-cyclopentyl-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 145078540
3-bromo-N-cyclohexyl-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464062
N-cyclohexyl-2-ethyl-6-fluoropyridine-4-carboxamide
CID 123798509
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
[2-[cyano-(2,6-difluoro-4-pyridinyl)amino]-4-[(2,2-dimethylcyclobutyl)carbamoyl]-1,3-thiazol-5-yl]carbamic acid
CID 175191623
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
3-chloro-N-cyclobutyl-6-(methylamino)pyridine-2-carboxamide
CID 62415036
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
ethyl 5-methyl-2-[methyl-(4-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526736
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide (CID 162375240) is N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide is Cc1cc(N(C)c2nc(C(=O)NC3CCC3)c(C)s2)cc(F)n1.
What is the InChIKey of N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is JAWBKYJZGRPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-9-7-12(8-13(17)18-9)21(3)16-20-14(10(2)23-16)15(22)19-11-5-4-6-11/h7-8,11H,4-6H2,1-3H3,(H,19,22).
What are the key properties of N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide?
N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(2-fluoro-6-methyl-4-pyridinyl)-methylamino]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162375240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).