N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

C17H30N2S — CID 65085927

IUPACN,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCCC(CC)CC1
InChIInChI=1S/C17H30N2S/c1-5-14-8-7-10-17(11-9-14,18-6-2)16-19-15(12-20-16)13(3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyONSXBHWRTMUWNV-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.06
Rot. Bonds5

About N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine

N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (PubChem CID 65085927) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
PubChem CID65085927
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
SMILESCCNC1(c2nc(C(C)C)cs2)CCCC(CC)CC1
InChIInChI=1S/C17H30N2S/c1-5-14-8-7-10-17(11-9-14,18-6-2)16-19-15(12-20-16)13(3)4/h12-14,18H,5-11H2,1-4H3
InChIKeyONSXBHWRTMUWNV-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085674
N,4-diethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330024
N-ethyl-3,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64746656
N-ethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-1-propylazepan-4-amine
CID 65077595
N-ethyl-3,5-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64753478
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
CID 65086029
N-ethyl-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330634
N-cyclopropyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61335851
N-ethyl-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65085428
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 62544746
1-ethyl-N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-4-amine
CID 61335805
N-(2-methoxyethyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 62542954

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The IUPAC name of N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine (CID 65085927) is N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is CCNC1(c2nc(C(C)C)cs2)CCCC(CC)CC1.
What is the InChIKey of N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
The InChIKey is ONSXBHWRTMUWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-14-8-7-10-17(11-9-14,18-6-2)16-19-15(12-20-16)13(3)4/h12-14,18H,5-11H2,1-4H3.
What are the key properties of N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine?
N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 65085927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).