4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine

C13H21N3O2S2 — CID 103349550

IUPAC4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C13H21N3O2S2/c1-8-2-4-9(5-3-8)15-13-11(12(14)16-19-13)20(17,18)10-6-7-10/h8-10,15H,2-7H2,1H3,(H2,14,16)
InChIKeyNPTPCYBWJFROBX-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.65
Rot. Bonds4

About 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine (PubChem CID 103349550) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine
PubChem CID103349550
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine
SMILESCC1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C13H21N3O2S2/c1-8-2-4-9(5-3-8)15-13-11(12(14)16-19-13)20(17,18)10-6-7-10/h8-10,15H,2-7H2,1H3,(H2,14,16)
InChIKeyNPTPCYBWJFROBX-UHFFFAOYSA-N
XLogP2.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyclopropylsulfonyl-5-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103348847
4-cyclopropylsulfonyl-5-N-(4-methylpentyl)-1,2-thiazole-3,5-diamine
CID 103348853
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103348861
4-cyclopropylsulfonyl-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348863
4-cyclopropylsulfonyl-5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103348869
4-cyclopropylsulfonyl-5-N-(3-methylpentan-2-yl)-1,2-thiazole-3,5-diamine
CID 103348893
4-cyclopropylsulfonyl-5-N-heptan-2-yl-1,2-thiazole-3,5-diamine
CID 103348897
4-cyclopropylsulfonyl-5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103348905
5-N-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103348913
4-cyclopropylsulfonyl-5-N-(2,3-dimethylbutyl)-1,2-thiazole-3,5-diamine
CID 103348921
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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine (CID 103349550) is 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine is CC1CCC(Nc2snc(N)c2S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NPTPCYBWJFROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-8-2-4-9(5-3-8)15-13-11(12(14)16-19-13)20(17,18)10-6-7-10/h8-10,15H,2-7H2,1H3,(H2,14,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine has a molecular weight of 315.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-(4-methylcyclohexyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).