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

C18H24N2S — CID 82438334

IUPACN-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccccc1-c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C18H24N2S/c1-12-7-5-6-8-14(12)17-20-16(18(2,3)4)15(21-17)11-19-13-9-10-13/h5-8,13,19H,9-11H2,1-4H3
InChIKeyIBTWAMRUSYJLTL-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.67
Rot. Bonds4

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

N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82438334) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82438334
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCc1ccccc1-c1nc(C(C)(C)C)c(CNC2CC2)s1
InChIInChI=1S/C18H24N2S/c1-12-7-5-6-8-14(12)17-20-16(18(2,3)4)15(21-17)11-19-13-9-10-13/h5-8,13,19H,9-11H2,1-4H3
InChIKeyIBTWAMRUSYJLTL-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-tert-butyl-2-(2-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363211
N-[[4-tert-butyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82438551
N-[[4-tert-butyl-2-(4-chlorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363274
N-[[2-(3-bromo-2-pyridinyl)-4-tert-butyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363130
N-[[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427019
N-[(4-tert-butyl-2-propyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 82438489
N-[[4-tert-butyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363304
N-[[4-tert-butyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82439344
N-[[4-tert-butyl-2-(thian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114363196
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174433
4-tert-butyl-5-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 115987940
N-[[2-(2-chlorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369395

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82438334) is N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is Cc1ccccc1-c1nc(C(C)(C)C)c(CNC2CC2)s1.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is IBTWAMRUSYJLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-12-7-5-6-8-14(12)17-20-16(18(2,3)4)15(21-17)11-19-13-9-10-13/h5-8,13,19H,9-11H2,1-4H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 300.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82438334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).