1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine

C18H30N2S — CID 81304117

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CCC(C)(C)CC1C
InChIInChI=1S/C18H30N2S/c1-5-11-19-18(10-9-17(3,4)12-13(18)2)16-20-14-7-6-8-15(14)21-16/h13,19H,5-12H2,1-4H3
InChIKeyKQPGNCQFBVIBEM-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.67
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine (PubChem CID 81304117) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine
PubChem CID81304117
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CCC(C)(C)CC1C
InChIInChI=1S/C18H30N2S/c1-5-11-19-18(10-9-17(3,4)12-13(18)2)16-20-14-7-6-8-15(14)21-16/h13,19H,5-12H2,1-4H3
InChIKeyKQPGNCQFBVIBEM-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 64755799
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
CID 82718648
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylcyclobutan-1-amine
CID 61333808
N-ethyl-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61331038
3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 106823149
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine
CID 81467200
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-2,4-dimethylcyclohexan-1-amine
CID 64756414
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61335769
N-(2-methoxyethyl)-2-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 62541742
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,2,5-trimethylcyclohexan-1-amine
CID 64755999
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine
CID 61332392
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
CID 64756005

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine (CID 81304117) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine is CCCNC1(c2nc3c(s2)CCC3)CCC(C)(C)CC1C.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine?
The InChIKey is KQPGNCQFBVIBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-5-11-19-18(10-9-17(3,4)12-13(18)2)16-20-14-7-6-8-15(14)21-16/h13,19H,5-12H2,1-4H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine has a molecular weight of 306.52 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 81304117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).