N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine

C11H15ClN4S — CID 112735876

IUPACN-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)n1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN4S/c1-3-6-13-11(8-7-14-16(2)15-8)9-4-5-10(12)17-9/h4-5,7,11,13H,3,6H2,1-2H3
InChIKeyWUSRKWQQEWUSLD-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.62
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine

N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 112735876) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID112735876
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC NameN-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)n1)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN4S/c1-3-6-13-11(8-7-14-16(2)15-8)9-4-5-10(12)17-9/h4-5,7,11,13H,3,6H2,1-2H3
InChIKeyWUSRKWQQEWUSLD-UHFFFAOYSA-N
XLogP2.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-3-methyltriazol-4-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 106465227
N-[(5-chlorothiophen-2-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022772
N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173463
4-[(5-chlorothiophen-2-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105173433
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397
N-[(5-chlorothiophen-2-yl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 62276494
N-[(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 43497043
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586
N-[(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102649361
N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine (CID 112735876) is N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)n1)c1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is WUSRKWQQEWUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-3-6-13-11(8-7-14-16(2)15-8)9-4-5-10(12)17-9/h4-5,7,11,13H,3,6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 270.79 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-(2-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 112735876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).