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

C16H22N4S — CID 103361808

IUPAC5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCN(CC1CCCCC1)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C16H22N4S/c1-20(11-12-6-3-2-4-7-12)16-14(15(17)19-21-16)13-8-5-9-18-10-13/h5,8-10,12H,2-4,6-7,11H2,1H3,(H2,17,19)
InChIKeyVDRJCGHPPZAQQG-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.80
Rot. Bonds4

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

5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103361808) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103361808
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCN(CC1CCCCC1)c1snc(N)c1-c1cccnc1
InChIInChI=1S/C16H22N4S/c1-20(11-12-6-3-2-4-7-12)16-14(15(17)19-21-16)13-8-5-9-18-10-13/h5,8-10,12H,2-4,6-7,11H2,1H3,(H2,17,19)
InChIKeyVDRJCGHPPZAQQG-UHFFFAOYSA-N
XLogP3.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360432
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360550
5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361301
5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349244
5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 107403288
5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360693
3-N-(cyclohexylmethyl)-3-N-methylpyridine-2,3-diamine
CID 104540064
5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359235
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103361808) is 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CN(CC1CCCCC1)c1snc(N)c1-c1cccnc1.
What is the InChIKey of 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is VDRJCGHPPZAQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-20(11-12-6-3-2-4-7-12)16-14(15(17)19-21-16)13-8-5-9-18-10-13/h5,8-10,12H,2-4,6-7,11H2,1H3,(H2,17,19).
What are the key properties of 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 302.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).