5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C12H21N3O2S2 — CID 103378769

IUPAC5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC1CC(C)CC(Nc2snc(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O2S2/c1-7-4-8(2)6-9(5-7)14-12-10(19(3,16)17)11(13)15-18-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyPMJKOWQYIOKRFF-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.37
Rot. Bonds3

About 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103378769) has the molecular formula C12H21N3O2S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103378769
Molecular FormulaC12H21N3O2S2
Molecular Weight303.45 g/mol
Exact Mass303.11
IUPAC Name5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCC1CC(C)CC(Nc2snc(N)c2S(C)(=O)=O)C1
InChIInChI=1S/C12H21N3O2S2/c1-7-4-8(2)6-9(5-7)14-12-10(19(3,16)17)11(13)15-18-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15)
InChIKeyPMJKOWQYIOKRFF-UHFFFAOYSA-N
XLogP2.37
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103384326
3-amino-5-[(3,5-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359748
4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
CID 103384334
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103382331
3-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)amino]-1-methylpyrrolidin-2-one
CID 114165304
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
4-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103363914
3-amino-5-[(2,4-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103362310
5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383777
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
CID 103379933
5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359345

Frequently Asked Questions

What is the IUPAC name of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103378769) is 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CC1CC(C)CC(Nc2snc(N)c2S(C)(=O)=O)C1.
What is the InChIKey of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is PMJKOWQYIOKRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S2/c1-7-4-8(2)6-9(5-7)14-12-10(19(3,16)17)11(13)15-18-12/h7-9,14H,4-6H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 303.45 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103378769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).