N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine

C17H30N2S — CID 65091070

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCc1nc(C)c(C(C)NC2CCCC(C(C)C)CC2)s1
InChIInChI=1S/C17H30N2S/c1-11(2)15-7-6-8-16(10-9-15)19-13(4)17-12(3)18-14(5)20-17/h11,13,15-16,19H,6-10H2,1-5H3
InChIKeySAVWDHDKQDPLHU-UHFFFAOYSA-N
MW294.51 g/mol
LogP5.02
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65091070) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65091070
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCc1nc(C)c(C(C)NC2CCCC(C(C)C)CC2)s1
InChIInChI=1S/C17H30N2S/c1-11(2)15-7-6-8-16(10-9-15)19-13(4)17-12(3)18-14(5)20-17/h11,13,15-16,19H,6-10H2,1-5H3
InChIKeySAVWDHDKQDPLHU-UHFFFAOYSA-N
XLogP5.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cycloheptanamine
CID 61059148
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 61059456
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-oxothian-4-amine
CID 54981247
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylsulfanylcyclopentan-1-amine
CID 114121342
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 61192995
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidin-2-one
CID 55241371
cyclobutyl-(2,4-dimethyl-1,3-thiazol-5-yl)methanamine
CID 83686035
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
CID 63752764
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 63752266
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61192512
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopropanecarboxamide
CID 47317373

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine (CID 65091070) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine is Cc1nc(C)c(C(C)NC2CCCC(C(C)C)CC2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is SAVWDHDKQDPLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-11(2)15-7-6-8-16(10-9-15)19-13(4)17-12(3)18-14(5)20-17/h11,13,15-16,19H,6-10H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 294.51 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65091070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).