5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

C15H22N4S2 — CID 103349523

IUPAC5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC2CCCC(C)C2C)n1
InChIInChI=1S/C15H22N4S2/c1-8-5-4-6-11(10(8)3)18-15-12(13(16)19-21-15)14-17-9(2)7-20-14/h7-8,10-11,18H,4-6H2,1-3H3,(H2,16,19)
InChIKeyQTTRWGZVDGPUBZ-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.39
Rot. Bonds3

About 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349523) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349523
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC2CCCC(C)C2C)n1
InChIInChI=1S/C15H22N4S2/c1-8-5-4-6-11(10(8)3)18-15-12(13(16)19-21-15)14-17-9(2)7-20-14/h7-8,10-11,18H,4-6H2,1-3H3,(H2,16,19)
InChIKeyQTTRWGZVDGPUBZ-UHFFFAOYSA-N
XLogP4.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

5-N-(3-methylcyclopentyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349818
5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382541
5-N-(1-cyclopropylpyrrolidin-3-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349002
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
5-N-(2-methoxycyclopentyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103379868
N-(2,3-dimethylcyclopentyl)-4-methyl-1,3-thiazol-2-amine
CID 64922035
4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349519
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349244
1-[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-4-methylpiperidin-3-ol
CID 103349878

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103349523) is 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NC2CCCC(C)C2C)n1.
What is the InChIKey of 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is QTTRWGZVDGPUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-8-5-4-6-11(10(8)3)18-15-12(13(16)19-21-15)14-17-9(2)7-20-14/h7-8,10-11,18H,4-6H2,1-3H3,(H2,16,19).
What are the key properties of 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 322.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).