2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol

C12H20N2OS — CID 106506878

IUPAC2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CC(CN)(CO)CC2CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-9-14-11(6-16-9)5-12(7-13,8-15)4-10-2-3-10/h6,10,15H,2-5,7-8,13H2,1H3
InChIKeyFXFODJXZXHTUAV-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.73
Rot. Bonds6

About 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (PubChem CID 106506878) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
PubChem CID106506878
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol
SMILESCc1nc(CC(CN)(CO)CC2CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-9-14-11(6-16-9)5-12(7-13,8-15)4-10-2-3-10/h6,10,15H,2-5,7-8,13H2,1H3
InChIKeyFXFODJXZXHTUAV-UHFFFAOYSA-N
XLogP1.73
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 106490163
2-cyclopropyl-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112567195
2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol
CID 106507657
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506893
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 83262106
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
[4-cyclopropyl-1-(2-methyl-1,3-thiazol-4-yl)butan-2-yl]hydrazine
CID 105214723
4-(cyclohexylmethyl)-2-methyl-1,3-thiazole
CID 174858890
4-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-2-methyl-1,3-thiazole
CID 79453787
2-(4-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diol
CID 79447916
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol (CID 106506878) is 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is Cc1nc(CC(CN)(CO)CC2CC2)cs1.
What is the InChIKey of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
The InChIKey is FXFODJXZXHTUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-14-11(6-16-9)5-12(7-13,8-15)4-10-2-3-10/h6,10,15H,2-5,7-8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol?
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol has a molecular weight of 240.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-ol is sourced from PubChem (CID 106506878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).