5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine

C11H19N3S — CID 103363934

IUPAC5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCCCC1
InChIInChI=1S/C11H19N3S/c1-8-10(12)14-15-11(8)13-7-9-5-3-2-4-6-9/h9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyGPGJNBGISQKWEH-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.03
Rot. Bonds3

About 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine

5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103363934) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103363934
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCCCC1
InChIInChI=1S/C11H19N3S/c1-8-10(12)14-15-11(8)13-7-9-5-3-2-4-6-9/h9,13H,2-7H2,1H3,(H2,12,14)
InChIKeyGPGJNBGISQKWEH-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-N-[(1-methylpiperidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103360229
4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
3-amino-5-(cyclopentylmethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382838
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843
5-N-(cyclopentylmethyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382835
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
5-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
CID 103361725
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
1-[5-(cyclohexylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375415
4-methyl-5-N-(thian-4-yl)-1,2-thiazole-3,5-diamine
CID 103365642
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine (CID 103363934) is 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CCCCC1.
What is the InChIKey of 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is GPGJNBGISQKWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-10(12)14-15-11(8)13-7-9-5-3-2-4-6-9/h9,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine?
5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 225.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).