5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine

C17H29N3S — CID 62766659

IUPAC5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C2CCCC(C)C2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-4-15-16(11-18-13-8-9-13)21-17(19-15)20(3)14-7-5-6-12(2)10-14/h12-14,18H,4-11H2,1-3H3
InChIKeyWYBXAXUWMWGHMN-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.97
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 62766659) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID62766659
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C2CCCC(C)C2)sc1CNC1CC1
InChIInChI=1S/C17H29N3S/c1-4-15-16(11-18-13-8-9-13)21-17(19-15)20(3)14-7-5-6-12(2)10-14/h12-14,18H,4-11H2,1-3H3
InChIKeyWYBXAXUWMWGHMN-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768575
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848
N-cyclopropyl-5-[(cyclopropylamino)methyl]-4-ethyl-N-propyl-1,3-thiazol-2-amine
CID 55117506
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115987966
5-[(cyclopropylamino)methyl]-N,4-diethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767508
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62768533
2-[methyl-(3-methylcyclohexyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764608
5-[(cyclopropylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 107509734
4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
CID 63519386
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(2-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117851
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428112

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (CID 62766659) is 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is CCc1nc(N(C)C2CCCC(C)C2)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is WYBXAXUWMWGHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-4-15-16(11-18-13-8-9-13)21-17(19-15)20(3)14-7-5-6-12(2)10-14/h12-14,18H,4-11H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-4-ethyl-N-methyl-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).