N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine

C16H22N2S — CID 121288943

IUPACN,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine
SMILESCc1nc(C)c(N(C)Cc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-11(2)15-8-6-14(7-9-15)10-18(5)16-12(3)17-13(4)19-16/h6-9,11H,10H2,1-5H3
InChIKeyXASHPLWIYWMFED-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.52
Rot. Bonds4

About N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine

N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine (PubChem CID 121288943) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine
PubChem CID121288943
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine
SMILESCc1nc(C)c(N(C)Cc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-11(2)15-8-6-14(7-9-15)10-18(5)16-12(3)17-13(4)19-16/h6-9,11H,10H2,1-5H3
InChIKeyXASHPLWIYWMFED-UHFFFAOYSA-N
XLogP4.52
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
1,3-dimethyl-1-[(4-propan-2-ylphenyl)methyl]urea
CID 47127099
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
tert-butyl-[4-[(N-methyl-4-propan-2-ylanilino)methyl]phenyl]-diphenylphosphanium
CID 134575852
4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407492
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767766
N,N-dimethyl-1-[5-[(4-propan-2-ylphenyl)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 167803897
4-ethyl-2-methyl-5-(4-propan-2-ylphenyl)-1,3-thiazole
CID 70862177
N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 80671287
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
N-methyl-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 61362253

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine?
The IUPAC name of N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine (CID 121288943) is N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine.
What is the SMILES notation for N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine?
The canonical SMILES for N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine is Cc1nc(C)c(N(C)Cc2ccc(C(C)C)cc2)s1.
What is the InChIKey of N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine?
The InChIKey is XASHPLWIYWMFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)15-8-6-14(7-9-15)10-18(5)16-12(3)17-13(4)19-16/h6-9,11H,10H2,1-5H3.
What are the key properties of N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine?
N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine has a molecular weight of 274.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 121288943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).