N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline

C16H16N4S — CID 75434803

IUPACN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline
SMILESc1ccc(-n2cccn2)c(NCc2cnc(C3CC3)s2)c1
InChIInChI=1S/C16H16N4S/c1-2-5-15(20-9-3-8-19-20)14(4-1)17-10-13-11-18-16(21-13)12-6-7-12/h1-5,8-9,11-12,17H,6-7,10H2
InChIKeyQPSBTHZMBPQFAV-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 75434803) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID75434803
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline
SMILESc1ccc(-n2cccn2)c(NCc2cnc(C3CC3)s2)c1
InChIInChI=1S/C16H16N4S/c1-2-5-15(20-9-3-8-19-20)14(4-1)17-10-13-11-18-16(21-13)12-6-7-12/h1-5,8-9,11-12,17H,6-7,10H2
InChIKeyQPSBTHZMBPQFAV-UHFFFAOYSA-N
XLogP3.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 97089159
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 102832685
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]piperidin-4-ol
CID 168580176
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
CID 168584069
N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 55114545
N-[(3,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43784031
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670
N-[(2,5-difluorophenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705653
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
CID 43705914
5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
3-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-5-methylimidazolidine-2,4-dione
CID 168583817

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline (CID 75434803) is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline is c1ccc(-n2cccn2)c(NCc2cnc(C3CC3)s2)c1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is QPSBTHZMBPQFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-5-15(20-9-3-8-19-20)14(4-1)17-10-13-11-18-16(21-13)12-6-7-12/h1-5,8-9,11-12,17H,6-7,10H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline?
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 296.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 75434803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).