4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine

C17H31N3S — CID 63519386

IUPAC4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCC(CC)CC2)nc1CC
InChIInChI=1S/C17H31N3S/c1-5-13-8-10-14(11-9-13)20(4)17-19-15(6-2)16(21-17)12-18-7-3/h13-14,18H,5-12H2,1-4H3
InChIKeySUYUTTTXDBCBNY-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.22
Rot. Bonds7

About 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine

4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 63519386) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID63519386
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC Name4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)C2CCC(CC)CC2)nc1CC
InChIInChI=1S/C17H31N3S/c1-5-13-8-10-14(11-9-13)20(4)17-19-15(6-2)16(21-17)12-18-7-3/h13-14,18H,5-12H2,1-4H3
InChIKeySUYUTTTXDBCBNY-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-ethyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 78917407
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273
5-(aminomethyl)-N-(4-ethylcyclohexyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510221
5-[(tert-butylamino)methyl]-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766730
N-cyclopentyl-N-methyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63514472
5-(aminomethyl)-N-cyclopropyl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62766909
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3-thiazol-2-amine
CID 63864932

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine (CID 63519386) is 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)C2CCC(CC)CC2)nc1CC.
What is the InChIKey of 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is SUYUTTTXDBCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-13-8-10-14(11-9-13)20(4)17-19-15(6-2)16(21-17)12-18-7-3/h13-14,18H,5-12H2,1-4H3.
What are the key properties of 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine?
4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(ethylaminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63519386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).