N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine

C16H20N2O2S2 — CID 12887290

IUPACN-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2ncsc2NC2CCCCC2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)16-15(21-11-17-16)18-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3
InChIKeyDZMQQHGMUZXUKB-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.03
Rot. Bonds4

About N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine

N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine (PubChem CID 12887290) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
PubChem CID12887290
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine
SMILESCc1ccc(S(=O)(=O)c2ncsc2NC2CCCCC2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)16-15(21-11-17-16)18-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3
InChIKeyDZMQQHGMUZXUKB-UHFFFAOYSA-N
XLogP4.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
The IUPAC name of N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine (CID 12887290) is N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
The canonical SMILES for N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine is Cc1ccc(S(=O)(=O)c2ncsc2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
The InChIKey is DZMQQHGMUZXUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-7-9-14(10-8-12)22(19,20)16-15(21-11-17-16)18-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine?
N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine has a molecular weight of 336.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methylphenyl)sulfonyl-1,3-thiazol-5-amine is sourced from PubChem (CID 12887290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).