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

C10H18N2S — CID 64544094

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(CC)n1
InChIInChI=1S/C10H18N2S/c1-4-6-11-8(3)9-7-13-10(5-2)12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyRNTCMSFQZNVZHN-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.77
Rot. Bonds5

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

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 64544094) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID64544094
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(CC)n1
InChIInChI=1S/C10H18N2S/c1-4-6-11-8(3)9-7-13-10(5-2)12-9/h7-8,11H,4-6H2,1-3H3
InChIKeyRNTCMSFQZNVZHN-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64542673
1-(2-ethyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115621932
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
N-[1-[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544898
2-ethyl-4-(1-iodoethyl)-1,3-thiazole
CID 137495501
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115718767
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542717
N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544305
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111117313
N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545180

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 64544094) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is CCCNC(C)c1csc(CC)n1.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is RNTCMSFQZNVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-6-11-8(3)9-7-13-10(5-2)12-9/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 198.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64544094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).