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

C12H10FN5S — CID 42645264

IUPACN-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccc(F)cn2)nc1-c1cn[nH]c1
InChIInChI=1S/C12H10FN5S/c1-7-11(8-4-15-16-5-8)18-12(19-7)17-10-3-2-9(13)6-14-10/h2-6H,1H3,(H,15,16)(H,14,17,18)
InChIKeyCSFBMOAIMQEIKF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.12
Rot. Bonds3

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

N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 42645264) has the molecular formula C12H10FN5S and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID42645264
Molecular FormulaC12H10FN5S
Molecular Weight275.31 g/mol
Exact Mass275.06
IUPAC NameN-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccc(F)cn2)nc1-c1cn[nH]c1
InChIInChI=1S/C12H10FN5S/c1-7-11(8-4-15-16-5-8)18-12(19-7)17-10-3-2-9(13)6-14-10/h2-6H,1H3,(H,15,16)(H,14,17,18)
InChIKeyCSFBMOAIMQEIKF-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-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 42645264) is N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1sc(Nc2ccc(F)cn2)nc1-c1cn[nH]c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is CSFBMOAIMQEIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5S/c1-7-11(8-4-15-16-5-8)18-12(19-7)17-10-3-2-9(13)6-14-10/h2-6H,1H3,(H,15,16)(H,14,17,18).
What are the key properties of N-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(5-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-(5-fluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 42645264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).