N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

C12H8ClN3S2 — CID 163214642

IUPACN-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESClc1cccc(Nc2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C12H8ClN3S2/c13-8-2-1-3-9(6-8)15-12-16-10(7-18-12)11-14-4-5-17-11/h1-7H,(H,15,16)
InChIKeyHOWDYBNISFBTJB-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.66
Rot. Bonds3

About N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine

N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214642) has the molecular formula C12H8ClN3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214642
Molecular FormulaC12H8ClN3S2
Molecular Weight293.80 g/mol
Exact Mass292.98
IUPAC NameN-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESClc1cccc(Nc2nc(-c3nccs3)cs2)c1
InChIInChI=1S/C12H8ClN3S2/c13-8-2-1-3-9(6-8)15-12-16-10(7-18-12)11-14-4-5-17-11/h1-7H,(H,15,16)
InChIKeyHOWDYBNISFBTJB-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
N-(3-chlorophenyl)-4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214677
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214646
N-[3-(3-chlorophenoxy)-4-methoxyphenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10295065
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214659
4-(1,3-thiazol-2-yl)-N-(5-thiophen-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 86076412
4-(4-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 175982198
4-(3-chlorophenyl)-N-(3-propylsulfanylphenyl)-1,3-thiazol-2-amine
CID 122183985
2-amino-2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422990

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214642) is N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Clc1cccc(Nc2nc(-c3nccs3)cs2)c1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is HOWDYBNISFBTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S2/c13-8-2-1-3-9(6-8)15-12-16-10(7-18-12)11-14-4-5-17-11/h1-7H,(H,15,16).
What are the key properties of N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).