5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine

C17H31N3S — CID 62768606

IUPAC5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCC(C)CC2)sc1CNC(C)(C)C
InChIInChI=1S/C17H31N3S/c1-12-7-9-14(10-8-12)20(6)16-19-13(2)15(21-16)11-18-17(3,4)5/h12,14,18H,7-11H2,1-6H3
InChIKeyCRLFVCRCYJJWJB-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.35
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 62768606) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID62768606
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C2CCC(C)CC2)sc1CNC(C)(C)C
InChIInChI=1S/C17H31N3S/c1-12-7-9-14(10-8-12)20(6)16-19-13(2)15(21-16)11-18-17(3,4)5/h12,14,18H,7-11H2,1-6H3
InChIKeyCRLFVCRCYJJWJB-UHFFFAOYSA-N
XLogP4.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
5-[(tert-butylamino)methyl]-N-cyclohexyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62763955
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768282
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
[2-[cyclopropyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780671
N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62754305
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
N'-[5-[(tert-butylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62766866
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62768405
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 62769039

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine (CID 62768606) is 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine is Cc1nc(N(C)C2CCC(C)CC2)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is CRLFVCRCYJJWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-12-7-9-14(10-8-12)20(6)16-19-13(2)15(21-16)11-18-17(3,4)5/h12,14,18H,7-11H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).