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

C15H22N4S2 — CID 103349244

IUPAC5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2N(C)CC2CCCCC2)n1
InChIInChI=1S/C15H22N4S2/c1-10-9-20-14(17-10)12-13(16)18-21-15(12)19(2)8-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3,(H2,16,18)
InChIKeyUGSHWSSIZASSQY-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.17
Rot. Bonds4

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

5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103349244) has the molecular formula C15H22N4S2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103349244
Molecular FormulaC15H22N4S2
Molecular Weight322.50 g/mol
Exact Mass322.13
IUPAC Name5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2N(C)CC2CCCCC2)n1
InChIInChI=1S/C15H22N4S2/c1-10-9-20-14(17-10)12-13(16)18-21-15(12)19(2)8-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3,(H2,16,18)
InChIKeyUGSHWSSIZASSQY-UHFFFAOYSA-N
XLogP4.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349675
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103349079
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-propan-2-yloxyethyl)-1,2-thiazole-3,5-diamine
CID 103349665
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
CID 103349800
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide
CID 103349191
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349054
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
5-N-methyl-5-N-(4-methylsulfanylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349822
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380792
5-N-(1-cyclopropylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349327
5-N-(2,3-dimethylcyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349523

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103349244) is 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2N(C)CC2CCCCC2)n1.
What is the InChIKey of 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is UGSHWSSIZASSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S2/c1-10-9-20-14(17-10)12-13(16)18-21-15(12)19(2)8-11-6-4-3-5-7-11/h9,11H,3-8H2,1-2H3,(H2,16,18).
What are the key properties of 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 322.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).