5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C12H21N3S2 — CID 103359764

IUPAC5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCC1CCCC(Nc2snc(N)c2SC)C1
InChIInChI=1S/C12H21N3S2/c1-3-8-5-4-6-9(7-8)14-12-10(16-2)11(13)15-17-12/h8-9,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyNSLUKWNEBQGNAX-UHFFFAOYSA-N
MW271.45 g/mol
LogP3.83
Rot. Bonds4

About 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359764) has the molecular formula C12H21N3S2 and a molecular weight of 271.45 g/mol. Its IUPAC name is 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359764
Molecular FormulaC12H21N3S2
Molecular Weight271.45 g/mol
Exact Mass271.12
IUPAC Name5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCC1CCCC(Nc2snc(N)c2SC)C1
InChIInChI=1S/C12H21N3S2/c1-3-8-5-4-6-9(7-8)14-12-10(16-2)11(13)15-17-12/h8-9,14H,3-7H2,1-2H3,(H2,13,15)
InChIKeyNSLUKWNEBQGNAX-UHFFFAOYSA-N
XLogP3.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-cyclopropylsulfonyl-5-N-(3,5-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348925
4-cyclopropylsulfonyl-5-N-(3,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348927
4-cyclopropylsulfonyl-5-N-(3-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348929
4-cyclopropylsulfonyl-5-N-(2-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348961
4-cyclopropylsulfonyl-5-N-(4-ethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348963
5-N-(1-cyclohexylethyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349120
4-cyclopropylsulfonyl-5-N-(2,3-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349522
4-cyclopropylsulfonyl-5-N-(2-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349528
4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349550
4-cyclopropylsulfonyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103349577
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359184
5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359228

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359764) is 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CCC1CCCC(Nc2snc(N)c2SC)C1.
What is the InChIKey of 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is NSLUKWNEBQGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S2/c1-3-8-5-4-6-9(7-8)14-12-10(16-2)11(13)15-17-12/h8-9,14H,3-7H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 271.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).