N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C9H16N2S — CID 62544830

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1csc(CNC(C)C)n1
InChIInChI=1S/C9H16N2S/c1-4-8-6-12-9(11-8)5-10-7(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyVKUBYEPEFBWRQH-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 62544830) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID62544830
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1csc(CNC(C)C)n1
InChIInChI=1S/C9H16N2S/c1-4-8-6-12-9(11-8)5-10-7(2)3/h6-7,10H,4-5H2,1-3H3
InChIKeyVKUBYEPEFBWRQH-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
N-[(2-propyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 60726594
N-[[4-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62456588
N-[[4-(2-methylbutan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62457385
N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]pentan-2-amine
CID 62434002
1-(azepan-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 56714130
N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 63966979
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026
N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
N-[[4-(phenylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62444643
N-[[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 82752697
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62432430

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 62544830) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCc1csc(CNC(C)C)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is VKUBYEPEFBWRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-4-8-6-12-9(11-8)5-10-7(2)3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 184.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62544830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).