N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C17H12ClN5S — CID 58791509

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(Nc3nc(-c4cccnc4)cs3)n[nH]2)cc1
InChIInChI=1S/C17H12ClN5S/c18-13-5-3-11(4-6-13)14-8-16(23-22-14)21-17-20-15(10-24-17)12-2-1-7-19-9-12/h1-10H,(H2,20,21,22,23)
InChIKeyCZJJUPONHNNKKT-UHFFFAOYSA-N
MW353.84 g/mol
LogP4.99
Rot. Bonds4

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791509) has the molecular formula C17H12ClN5S and a molecular weight of 353.84 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791509
Molecular FormulaC17H12ClN5S
Molecular Weight353.84 g/mol
Exact Mass353.05
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(Nc3nc(-c4cccnc4)cs3)n[nH]2)cc1
InChIInChI=1S/C17H12ClN5S/c18-13-5-3-11(4-6-13)14-8-16(23-22-14)21-17-20-15(10-24-17)12-2-1-7-19-9-12/h1-10H,(H2,20,21,22,23)
InChIKeyCZJJUPONHNNKKT-UHFFFAOYSA-N
XLogP4.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
2-(4-chloroanilino)-N-(5-phenyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372065
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-pyridin-2-yl-4-[4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine;N-pyridin-3-yl-4-[3-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 18428300
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
4-(4-chlorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 2215267
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791509) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Clc1ccc(-c2cc(Nc3nc(-c4cccnc4)cs3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is CZJJUPONHNNKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5S/c18-13-5-3-11(4-6-13)14-8-16(23-22-14)21-17-20-15(10-24-17)12-2-1-7-19-9-12/h1-10H,(H2,20,21,22,23).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 353.84 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).