1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine

C15H26N2S — CID 115713038

IUPAC1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC1CC1C
InChIInChI=1S/C15H26N2S/c1-9-7-12(9)8-16-10(2)13-11(3)17-14(18-13)15(4,5)6/h9-10,12,16H,7-8H2,1-6H3
InChIKeyJJWKWBCYZJHRFX-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 115713038) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
PubChem CID115713038
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCc1nc(C(C)(C)C)sc1C(C)NCC1CC1C
InChIInChI=1S/C15H26N2S/c1-9-7-12(9)8-16-10(2)13-11(3)17-14(18-13)15(4,5)6/h9-10,12,16H,7-8H2,1-6H3
InChIKeyJJWKWBCYZJHRFX-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63462433
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64741879
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634562
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N-cyclopropylacetamide
CID 43778001
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763215
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43764241
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43768791
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61014973
3-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]-N,N-dimethylpropanamide
CID 60926611

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine (CID 115713038) is 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine is Cc1nc(C(C)(C)C)sc1C(C)NCC1CC1C.
What is the InChIKey of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is JJWKWBCYZJHRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-9-7-12(9)8-16-10(2)13-11(3)17-14(18-13)15(4,5)6/h9-10,12,16H,7-8H2,1-6H3.
What are the key properties of 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 266.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115713038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).