N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine

C12H19N3S — CID 66380056

IUPACN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine
SMILESNCc1nc(CNC(C2CC2)C2CC2)cs1
InChIInChI=1S/C12H19N3S/c13-5-11-15-10(7-16-11)6-14-12(8-1-2-8)9-3-4-9/h7-9,12,14H,1-6,13H2
InChIKeyBDZURDAGWCZGAT-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.88
Rot. Bonds6

About N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine (PubChem CID 66380056) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine
PubChem CID66380056
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine
SMILESNCc1nc(CNC(C2CC2)C2CC2)cs1
InChIInChI=1S/C12H19N3S/c13-5-11-15-10(7-16-11)6-14-12(8-1-2-8)9-3-4-9/h7-9,12,14H,1-6,13H2
InChIKeyBDZURDAGWCZGAT-UHFFFAOYSA-N
XLogP1.88
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
[2-(aminomethyl)-1,3-thiazol-4-yl]methanethiol
CID 82502783
1-cyclopropyl-N-ethyl-2-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 63355477
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66380830
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-2,3,3-trimethylbutan-1-amine
CID 83143401
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-(furan-2-yl)propan-2-amine
CID 66379865
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
CID 115485809

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine?
The IUPAC name of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine (CID 66380056) is N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine is NCc1nc(CNC(C2CC2)C2CC2)cs1.
What is the InChIKey of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine?
The InChIKey is BDZURDAGWCZGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c13-5-11-15-10(7-16-11)6-14-12(8-1-2-8)9-3-4-9/h7-9,12,14H,1-6,13H2.
What are the key properties of N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine?
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine has a molecular weight of 237.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1,1-dicyclopropylmethanamine is sourced from PubChem (CID 66380056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).