N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine

C15H22N2S2 — CID 62345229

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
SMILESCCc1ccc(C(NC(C)C)c2nc(C)c(C)s2)s1
InChIInChI=1S/C15H22N2S2/c1-6-12-7-8-13(19-12)14(16-9(2)3)15-17-10(4)11(5)18-15/h7-9,14,16H,6H2,1-5H3
InChIKeyZXDIFVBDZYVPRH-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.47
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 62345229) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
PubChem CID62345229
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
SMILESCCc1ccc(C(NC(C)C)c2nc(C)c(C)s2)s1
InChIInChI=1S/C15H22N2S2/c1-6-12-7-8-13(19-12)14(16-9(2)3)15-17-10(4)11(5)18-15/h7-9,14,16H,6H2,1-5H3
InChIKeyZXDIFVBDZYVPRH-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334031
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 103572508
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
CID 61334622
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 61346609
N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114859205
N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61345618
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-methylphenyl)methyl]propan-2-amine
CID 61336192
N-[(5-ethylthiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494287
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propan-2-ylhexan-1-amine
CID 61333638
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 107515364

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine (CID 62345229) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine is CCc1ccc(C(NC(C)C)c2nc(C)c(C)s2)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is ZXDIFVBDZYVPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-6-12-7-8-13(19-12)14(16-9(2)3)15-17-10(4)11(5)18-15/h7-9,14,16H,6H2,1-5H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 294.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62345229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).