N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

C9H16N2S — CID 18758998

IUPACN-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCNCCc1csc(C(C)C)n1
InChIInChI=1S/C9H16N2S/c1-7(2)9-11-8(6-12-9)4-5-10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyZSAPZTOKPPJGKQ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 18758998) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID18758998
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCNCCc1csc(C(C)C)n1
InChIInChI=1S/C9H16N2S/c1-7(2)9-11-8(6-12-9)4-5-10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyZSAPZTOKPPJGKQ-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
CID 115607884
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119111772
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiolan-3-amine
CID 115716272
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
1-(2-ethoxyethyl)-2-methyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111897013
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282
2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (CID 18758998) is N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is CNCCc1csc(C(C)C)n1.
What is the InChIKey of N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is ZSAPZTOKPPJGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)9-11-8(6-12-9)4-5-10-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 184.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 18758998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).