N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C12H10FN5S — CID 42645966

IUPACN-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ncccc2F)nc1-c1cn[nH]c1
InChIInChI=1S/C12H10FN5S/c1-7-10(8-5-15-16-6-8)17-12(19-7)18-11-9(13)3-2-4-14-11/h2-6H,1H3,(H,15,16)(H,14,17,18)
InChIKeyFPYDNFQPGNHDPU-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.12
Rot. Bonds3

About N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 42645966) has the molecular formula C12H10FN5S and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID42645966
Molecular FormulaC12H10FN5S
Molecular Weight275.31 g/mol
Exact Mass275.06
IUPAC NameN-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ncccc2F)nc1-c1cn[nH]c1
InChIInChI=1S/C12H10FN5S/c1-7-10(8-5-15-16-6-8)17-12(19-7)18-11-9(13)3-2-4-14-11/h2-6H,1H3,(H,15,16)(H,14,17,18)
InChIKeyFPYDNFQPGNHDPU-UHFFFAOYSA-N
XLogP3.12
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 42645966) is N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1sc(Nc2ncccc2F)nc1-c1cn[nH]c1.
What is the InChIKey of N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is FPYDNFQPGNHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5S/c1-7-10(8-5-15-16-6-8)17-12(19-7)18-11-9(13)3-2-4-14-11/h2-6H,1H3,(H,15,16)(H,14,17,18).
What are the key properties of N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 275.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42645966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).