N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine

C14H24N2S — CID 114868273

IUPACN-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(CNC2CC2)sc1C(C)C
InChIInChI=1S/C14H24N2S/c1-9(2)7-12-14(10(3)4)17-13(16-12)8-15-11-5-6-11/h9-11,15H,5-8H2,1-4H3
InChIKeyNXLIZNRPKKTBKD-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.72
Rot. Bonds6

About N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 114868273) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID114868273
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(CNC2CC2)sc1C(C)C
InChIInChI=1S/C14H24N2S/c1-9(2)7-12-14(10(3)4)17-13(16-12)8-15-11-5-6-11/h9-11,15H,5-8H2,1-4H3
InChIKeyNXLIZNRPKKTBKD-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82434590
N-[[2-(2-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369417
N-[[2-(4-methylcyclohexyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369404
cyclopropyl-[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 114868238
N-[[2-(azepan-1-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369520
N-[[4-(2-methylpropyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369268
N-[[2-(3-methylbutyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364385
N-[[2-(2-chlorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369395
N-[[2-(5-chloro-2-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369537
N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369512
N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53272742
N-[(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 55129618

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 114868273) is N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine is CC(C)Cc1nc(CNC2CC2)sc1C(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is NXLIZNRPKKTBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-9(2)7-12-14(10(3)4)17-13(16-12)8-15-11-5-6-11/h9-11,15H,5-8H2,1-4H3.
What are the key properties of N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 252.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-5-propan-2-yl-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114868273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).