5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

C15H15ClN4S2 — CID 123973033

IUPAC5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2csc(Nc3ccccc3Cl)n2)s1
InChIInChI=1S/C15H15ClN4S2/c1-3-17-14-18-9(2)13(22-14)12-8-21-15(20-12)19-11-7-5-4-6-10(11)16/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLNKPEBJBYWQRHP-UHFFFAOYSA-N
MW350.90 g/mol
LogP5.40
Rot. Bonds5

About 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine

5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 123973033) has the molecular formula C15H15ClN4S2 and a molecular weight of 350.90 g/mol. Its IUPAC name is 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
PubChem CID123973033
Molecular FormulaC15H15ClN4S2
Molecular Weight350.90 g/mol
Exact Mass350.04
IUPAC Name5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(C)c(-c2csc(Nc3ccccc3Cl)n2)s1
InChIInChI=1S/C15H15ClN4S2/c1-3-17-14-18-9(2)13(22-14)12-8-21-15(20-12)19-11-7-5-4-6-10(11)16/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLNKPEBJBYWQRHP-UHFFFAOYSA-N
XLogP5.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.90
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine
CID 1255043
N-[5-[2-[(2-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11291515
N-(2-chlorophenyl)-4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 126478306
3-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-chloro-1-N,1-N-dimethylbenzene-1,3-diamine
CID 46904983
N-(2-chlorophenyl)-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
CID 121476967
N-[4-methyl-5-[2-(2-propan-2-yloxyanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 71478258
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
3-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-chloro-1-N,1-N-dimethylbenzene-1,3-diamine;hydrochloride
CID 90661526
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368
N-(3-chloro-2-methylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 746698
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745528

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine (CID 123973033) is 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine is CCNc1nc(C)c(-c2csc(Nc3ccccc3Cl)n2)s1.
What is the InChIKey of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LNKPEBJBYWQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S2/c1-3-17-14-18-9(2)13(22-14)12-8-21-15(20-12)19-11-7-5-4-6-10(11)16/h4-8H,3H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine?
5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 350.90 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123973033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).