N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

C20H19N5S — CID 42167249

IUPACN-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccncc2)n1
InChIInChI=1S/C20H19N5S/c1-15-19(26-20(23-15)22-13-16-5-3-2-4-6-16)18-9-12-25(24-18)14-17-7-10-21-11-8-17/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyHNELGWKNEIHXPR-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.37
Rot. Bonds6

About N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 42167249) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID42167249
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC NameN-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccncc2)n1
InChIInChI=1S/C20H19N5S/c1-15-19(26-20(23-15)22-13-16-5-3-2-4-6-16)18-9-12-25(24-18)14-17-7-10-21-11-8-17/h2-12H,13-14H2,1H3,(H,22,23)
InChIKeyHNELGWKNEIHXPR-UHFFFAOYSA-N
XLogP4.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 42167249) is N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2ccccc2)sc1-c1ccn(Cc2ccncc2)n1.
What is the InChIKey of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is HNELGWKNEIHXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-15-19(26-20(23-15)22-13-16-5-3-2-4-6-16)18-9-12-25(24-18)14-17-7-10-21-11-8-17/h2-12H,13-14H2,1H3,(H,22,23).
What are the key properties of N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 361.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 42167249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).