N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

C12H13ClN2S — CID 80708538

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2ccc(Cl)s2)nc1
InChIInChI=1S/C12H13ClN2S/c1-9-2-3-10(15-6-9)7-14-8-11-4-5-12(13)16-11/h2-6,14H,7-8H2,1H3
InChIKeyOZJFBNNMQNMHKF-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.39
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine

N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (PubChem CID 80708538) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
PubChem CID80708538
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
SMILESCc1ccc(CNCc2ccc(Cl)s2)nc1
InChIInChI=1S/C12H13ClN2S/c1-9-2-3-10(15-6-9)7-14-8-11-4-5-12(13)16-11/h2-6,14H,7-8H2,1H3
InChIKeyOZJFBNNMQNMHKF-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305597
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 63001164
1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275355
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
1-(5-chlorothiophen-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 55598709
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712760
1-(5-chlorothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 61014211
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N-[(3-methylphenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708063
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine (CID 80708538) is N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is Cc1ccc(CNCc2ccc(Cl)s2)nc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
The InChIKey is OZJFBNNMQNMHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9-2-3-10(15-6-9)7-14-8-11-4-5-12(13)16-11/h2-6,14H,7-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine?
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine has a molecular weight of 252.77 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 80708538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).