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

C16H14FN5OS — CID 11493914

IUPACN-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2C)s1
InChIInChI=1S/C16H14FN5OS/c1-9-12(4-3-7-18-9)21-16-14(20-10(2)24-16)15(23)22-13-6-5-11(17)8-19-13/h3-8,21H,1-2H3,(H,19,22,23)
InChIKeyCJIDEUQGCWHTNM-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.68
Rot. Bonds4

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

N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 11493914) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID11493914
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2C)s1
InChIInChI=1S/C16H14FN5OS/c1-9-12(4-3-7-18-9)21-16-14(20-10(2)24-16)15(23)22-13-6-5-11(17)8-19-13/h3-8,21H,1-2H3,(H,19,22,23)
InChIKeyCJIDEUQGCWHTNM-UHFFFAOYSA-N
XLogP3.68
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 11493914) is N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cccnc2C)s1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is CJIDEUQGCWHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c1-9-12(4-3-7-18-9)21-16-14(20-10(2)24-16)15(23)22-13-6-5-11(17)8-19-13/h3-8,21H,1-2H3,(H,19,22,23).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-methyl-5-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).