N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine

C16H13N5S — CID 127052038

IUPACN-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCN(c1ccc2[nH]ncc2c1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
InChIKeyJFJUPFXFDINWRD-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.85
Rot. Bonds3

About N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine

N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 127052038) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID127052038
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC NameN-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCN(c1ccc2[nH]ncc2c1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
InChIKeyJFJUPFXFDINWRD-UHFFFAOYSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 127052038) is N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine is CN(c1ccc2[nH]ncc2c1)c1nc(-c2ccccn2)cs1.
What is the InChIKey of N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is JFJUPFXFDINWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20).
What are the key properties of N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 307.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-N-methyl-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 127052038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).