N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine

C14H24N2S — CID 81015096

IUPACN-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCc1nc(CC(C)C(C)CNC2CC2)sc1C
InChIInChI=1S/C14H24N2S/c1-9(10(2)8-15-13-5-6-13)7-14-16-11(3)12(4)17-14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyDWUVZRLDOYIDMF-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.33
Rot. Bonds6

About N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine

N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81015096) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81015096
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCc1nc(CC(C)C(C)CNC2CC2)sc1C
InChIInChI=1S/C14H24N2S/c1-9(10(2)8-15-13-5-6-13)7-14-16-11(3)12(4)17-14/h9-10,13,15H,5-8H2,1-4H3
InChIKeyDWUVZRLDOYIDMF-UHFFFAOYSA-N
XLogP3.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 79017994
N-[2-cyclopentyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-methylpropan-1-amine
CID 115926877
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 64989566
1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
3-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 115789480
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
[1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 103170711
N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
CID 104737358
N-methyl-4-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 116885305
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369417
N-[2,3-dimethyl-4-(1-methylimidazol-2-yl)butyl]cyclopropanamine
CID 81015529

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine (CID 81015096) is N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine is Cc1nc(CC(C)C(C)CNC2CC2)sc1C.
What is the InChIKey of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is DWUVZRLDOYIDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(10(2)8-15-13-5-6-13)7-14-16-11(3)12(4)17-14/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 252.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81015096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).