N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide

C14H11FN6OS — CID 11515445

IUPACN-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncnc2)s1
InChIInChI=1S/C14H11FN6OS/c1-8-19-12(13(22)21-11-3-2-9(15)4-18-11)14(23-8)20-10-5-16-7-17-6-10/h2-7,20H,1H3,(H,18,21,22)
InChIKeySMXXSFKEFCYSEY-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.77
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide

N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11515445) has the molecular formula C14H11FN6OS and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11515445
Molecular FormulaC14H11FN6OS
Molecular Weight330.35 g/mol
Exact Mass330.07
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncnc2)s1
InChIInChI=1S/C14H11FN6OS/c1-8-19-12(13(22)21-11-3-2-9(15)4-18-11)14(23-8)20-10-5-16-7-17-6-10/h2-7,20H,1H3,(H,18,21,22)
InChIKeySMXXSFKEFCYSEY-UHFFFAOYSA-N
XLogP2.77
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (CID 11515445) is N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc(F)cn2)c(Nc2cncnc2)s1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is SMXXSFKEFCYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN6OS/c1-8-19-12(13(22)21-11-3-2-9(15)4-18-11)14(23-8)20-10-5-16-7-17-6-10/h2-7,20H,1H3,(H,18,21,22).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-methyl-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11515445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).