1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine

C16H28N2S — CID 55106298

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc(C)cs2)CCC(C(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-5-10-17-16(15-18-13(4)11-19-15)8-6-14(7-9-16)12(2)3/h11-12,14,17H,5-10H2,1-4H3
InChIKeyLAXSWHAMFHKUPR-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.49
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine

1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 55106298) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID55106298
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc(C)cs2)CCC(C(C)C)CC1
InChIInChI=1S/C16H28N2S/c1-5-10-17-16(15-18-13(4)11-19-15)8-6-14(7-9-16)12(2)3/h11-12,14,17H,5-10H2,1-4H3
InChIKeyLAXSWHAMFHKUPR-UHFFFAOYSA-N
XLogP4.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 64514285
N-ethyl-1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107449620
N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
4-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylthian-4-amine
CID 61333414
N-ethyl-8-(4-methyl-1,3-thiazol-2-yl)spiro[4.5]decan-8-amine
CID 114819099
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcyclopentan-1-amine
CID 64515479
4-methyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65084804
3-(4-methyl-1,3-thiazol-2-yl)-N-propyl-1-azabicyclo[2.2.2]octan-3-amine
CID 61330650
1-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]cyclobutan-1-amine
CID 138027751
3,3-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-N-propylcyclopentan-1-amine
CID 80699573
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylcycloheptan-1-amine
CID 65085574

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 55106298) is 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1(c2nc(C)cs2)CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is LAXSWHAMFHKUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-10-17-16(15-18-13(4)11-19-15)8-6-14(7-9-16)12(2)3/h11-12,14,17H,5-10H2,1-4H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 55106298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).