N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C12H20N2S — CID 63890465

IUPACN-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)Cc1ncc(CNC2CC2)s1
InChIInChI=1S/C12H20N2S/c1-12(2,3)6-11-14-8-10(15-11)7-13-9-4-5-9/h8-9,13H,4-7H2,1-3H3
InChIKeyUBCQEOSJFWPTCO-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.98
Rot. Bonds4

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

N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 63890465) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID63890465
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCC(C)(C)Cc1ncc(CNC2CC2)s1
InChIInChI=1S/C12H20N2S/c1-12(2,3)6-11-14-8-10(15-11)7-13-9-4-5-9/h8-9,13H,4-7H2,1-3H3
InChIKeyUBCQEOSJFWPTCO-UHFFFAOYSA-N
XLogP2.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]cyclobutanamine
CID 63121173
N-[[2-(4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 65390861
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 115656582
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704086
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]oxan-4-amine
CID 115656577
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
N-[[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62931356
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentan-1-amine
CID 115656347
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
CID 54883470
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103787091

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 63890465) is N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CC(C)(C)Cc1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is UBCQEOSJFWPTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,3)6-11-14-8-10(15-11)7-13-9-4-5-9/h8-9,13H,4-7H2,1-3H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 224.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63890465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).