1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H28N2OS — CID 114364760

IUPAC1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2(OC)CCCCCC2)nc1C(C)C
InChIInChI=1S/C16H28N2OS/c1-12(2)14-13(11-17-3)20-15(18-14)16(19-4)9-7-5-6-8-10-16/h12,17H,5-11H2,1-4H3
InChIKeyUSENVERUCPLBPV-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.18
Rot. Bonds5

About 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114364760) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114364760
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2(OC)CCCCCC2)nc1C(C)C
InChIInChI=1S/C16H28N2OS/c1-12(2)14-13(11-17-3)20-15(18-14)16(19-4)9-7-5-6-8-10-16/h12,17H,5-11H2,1-4H3
InChIKeyUSENVERUCPLBPV-UHFFFAOYSA-N
XLogP4.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363491
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078
[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361367
1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730681
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824
N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116778029
[2-(1-methoxycycloheptyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362057
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
2-[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 104611833
N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114364760) is 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2(OC)CCCCCC2)nc1C(C)C.
What is the InChIKey of 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is USENVERUCPLBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(2)14-13(11-17-3)20-15(18-14)16(19-4)9-7-5-6-8-10-16/h12,17H,5-11H2,1-4H3.
What are the key properties of 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 296.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114364760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).