2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol

C11H20N2OS — CID 106507657

IUPAC2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol
SMILESCc1nc(CC(CN)(CO)C(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-8(2)11(6-12,7-14)4-10-5-15-9(3)13-10/h5,8,14H,4,6-7,12H2,1-3H3
InChIKeySVVKRTFXDKUSAA-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.59
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol

2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol (PubChem CID 106507657) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol
PubChem CID106507657
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol
SMILESCc1nc(CC(CN)(CO)C(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-8(2)11(6-12,7-14)4-10-5-15-9(3)13-10/h5,8,14H,4,6-7,12H2,1-3H3
InChIKeySVVKRTFXDKUSAA-UHFFFAOYSA-N
XLogP1.59
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.59
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)propan-1-ol
CID 106506878
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]-3-methylbutan-1-ol
CID 106507624
2-(4-bromophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diol
CID 79447916
ethyl 2-(aminomethyl)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106487078
2-cyclopropyl-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 112567195
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 106490163
3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 81033944
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,4-diamine
CID 80544051
1-(tert-butylamino)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 66038221
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
methyl 2-(aminomethyl)-2-(2-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 106509013

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol (CID 106507657) is 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol is Cc1nc(CC(CN)(CO)C(C)C)cs1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol?
The InChIKey is SVVKRTFXDKUSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)11(6-12,7-14)4-10-5-15-9(3)13-10/h5,8,14H,4,6-7,12H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol?
2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-ol is sourced from PubChem (CID 106507657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).