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

C14H13ClN4S2 — CID 25001418

IUPAC5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CNc2nc(-c3ccc(Cl)cc3)cs2)s1
InChIInChI=1S/C14H13ClN4S2/c1-16-13-17-6-11(21-13)7-18-14-19-12(8-20-14)9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYXULPHVEFOOZOW-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.57
Rot. Bonds5

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

5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 25001418) has the molecular formula C14H13ClN4S2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID25001418
Molecular FormulaC14H13ClN4S2
Molecular Weight336.87 g/mol
Exact Mass336.03
IUPAC Name5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CNc2nc(-c3ccc(Cl)cc3)cs2)s1
InChIInChI=1S/C14H13ClN4S2/c1-16-13-17-6-11(21-13)7-18-14-19-12(8-20-14)9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyYXULPHVEFOOZOW-UHFFFAOYSA-N
XLogP4.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-methyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 87535509
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]acetic acid
CID 82134209
4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
N-benzyl-5-[[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 87535658
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetohydrazide
CID 2315799
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723

Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 25001418) is 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(CNc2nc(-c3ccc(Cl)cc3)cs2)s1.
What is the InChIKey of 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is YXULPHVEFOOZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S2/c1-16-13-17-6-11(21-13)7-18-14-19-12(8-20-14)9-2-4-10(15)5-3-9/h2-6,8H,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine?
5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 336.87 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 25001418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).