3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

C10H18N2S — CID 83139092

IUPAC3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(CN)Cc1cscn1
InChIInChI=1S/C10H18N2S/c1-10(2,3)8(5-11)4-9-6-13-7-12-9/h6-8H,4-5,11H2,1-3H3
InChIKeyKWYUZAVLRZBPSG-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.31
Rot. Bonds3

About 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine

3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 83139092) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID83139092
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)(C)C(CN)Cc1cscn1
InChIInChI=1S/C10H18N2S/c1-10(2,3)8(5-11)4-9-6-13-7-12-9/h6-8H,4-5,11H2,1-3H3
InChIKeyKWYUZAVLRZBPSG-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(bromomethyl)-3,3-dimethylbutyl]-1,3-thiazole
CID 83142562
3,3-dimethyl-N-(2-methylpropyl)-2-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 83139055
2-amino-4,4-dimethyl-1-(1,3-thiazol-4-yl)pentan-3-one
CID 155459923
(2R)-3-methyl-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 69472054
(2S)-2-methyl-3-(1,3-thiazol-4-yl)propane-1,1-diol
CID 163525054
2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79448591
methyl (2S)-2-amino-3-(1,3-thiazol-4-yl)propanoate;dihydrochloride
CID 70073965
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
1,2,3-tris(1,3-thiazol-4-yl)propan-1-amine
CID 122628350
[1-amino-2-(1,3-thiazol-4-yl)ethyl] formate
CID 174645355
2-methyl-N-(2-methylpropyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62529899

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 83139092) is 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is CC(C)(C)C(CN)Cc1cscn1.
What is the InChIKey of 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is KWYUZAVLRZBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-10(2,3)8(5-11)4-9-6-13-7-12-9/h6-8H,4-5,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine?
3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 83139092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).