4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine

C14H17N3S — CID 103364183

IUPAC4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1ccccc1CNc1snc(N)c1C1CC1
InChIInChI=1S/C14H17N3S/c1-9-4-2-3-5-11(9)8-16-14-12(10-6-7-10)13(15)17-18-14/h2-5,10,16H,6-8H2,1H3,(H2,15,17)
InChIKeyKQNDZQHWIVMUBY-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.52
Rot. Bonds4

About 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364183) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364183
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1ccccc1CNc1snc(N)c1C1CC1
InChIInChI=1S/C14H17N3S/c1-9-4-2-3-5-11(9)8-16-14-12(10-6-7-10)13(15)17-18-14/h2-5,10,16H,6-8H2,1H3,(H2,15,17)
InChIKeyKQNDZQHWIVMUBY-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103363284
4-cyclopropyl-5-N-[(3,4-difluorophenyl)methyl]-1,2-thiazole-3,5-diamine
CID 103360173
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
5-N-[2-(4-chlorophenyl)ethyl]-4-cyclopropyl-1,2-thiazole-3,5-diamine
CID 103359522
1-[3-methyl-5-[(2-methylphenyl)methylamino]-1,2-thiazol-4-yl]ethanone
CID 79363573
4-cyclopropyl-5-N-[2-[ethyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361026
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
CID 103363365
4-cyclopropyl-5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359962
6-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]hexan-1-ol
CID 114009580
2-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)amino]-N-tert-butylacetamide
CID 103364746
3-cyclopropyl-N-[2-(2-methylphenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 79755405
5-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-phenyl-1,2-thiazole-3,5-diamine
CID 103384054

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine (CID 103364183) is 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine is Cc1ccccc1CNc1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is KQNDZQHWIVMUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9-4-2-3-5-11(9)8-16-14-12(10-6-7-10)13(15)17-18-14/h2-5,10,16H,6-8H2,1H3,(H2,15,17).
What are the key properties of 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 259.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[(2-methylphenyl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).