N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine

C11H14N2S2 — CID 115655831

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2sccc2C)s1
InChIInChI=1S/C11H14N2S2/c1-8-3-4-14-10(8)6-12-7-11-13-5-9(2)15-11/h3-5,12H,6-7H2,1-2H3
InChIKeyMCWJLKQJBAJLQU-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.11
Rot. Bonds4

About N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 115655831) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
PubChem CID115655831
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
SMILESCc1cnc(CNCc2sccc2C)s1
InChIInChI=1S/C11H14N2S2/c1-8-3-4-14-10(8)6-12-7-11-13-5-9(2)15-11/h3-5,12H,6-7H2,1-2H3
InChIKeyMCWJLKQJBAJLQU-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115656584
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
1-ethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111525235
1-(3-methyl-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 63305626
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
1-(3-chloro-1-benzothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103700769
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-N'-phenylethane-1,2-diamine
CID 114128264
N-[(3-methyloxetan-3-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 107358300
1-(3-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60977816
N-[(5-methyl-1,3-thiazol-2-yl)methyl]formamide
CID 22916690
2-[(3-methylthiophen-2-yl)methylamino]acetaldehyde
CID 115223017

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine (CID 115655831) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine is Cc1cnc(CNCc2sccc2C)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is MCWJLKQJBAJLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-8-3-4-14-10(8)6-12-7-11-13-5-9(2)15-11/h3-5,12H,6-7H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 238.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 115655831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).