N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine

C14H14N2S3 — CID 61282963

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESCc1ncc(CNC(c2cccs2)c2cccs2)s1
InChIInChI=1S/C14H14N2S3/c1-10-15-8-11(19-10)9-16-14(12-4-2-6-17-12)13-5-3-7-18-13/h2-8,14,16H,9H2,1H3
InChIKeyKLOFUEKORIJOKE-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.45
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine (PubChem CID 61282963) has the molecular formula C14H14N2S3 and a molecular weight of 306.48 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
PubChem CID61282963
Molecular FormulaC14H14N2S3
Molecular Weight306.48 g/mol
Exact Mass306.03
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
SMILESCc1ncc(CNC(c2cccs2)c2cccs2)s1
InChIInChI=1S/C14H14N2S3/c1-10-15-8-11(19-10)9-16-14(12-4-2-6-17-12)13-5-3-7-18-13/h2-8,14,16H,9H2,1H3
InChIKeyKLOFUEKORIJOKE-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-[(2-methylpyrimidin-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61015866
1-(3-bromothiophen-2-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281995
N-[(6-methyl-2-pyridinyl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 62323365
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride
CID 120902853
2-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-methyl-3-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111673387
N-[(1-methylpyrazol-3-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 78998285
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
CID 61282170
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine (CID 61282963) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine is Cc1ncc(CNC(c2cccs2)c2cccs2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
The InChIKey is KLOFUEKORIJOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S3/c1-10-15-8-11(19-10)9-16-14(12-4-2-6-17-12)13-5-3-7-18-13/h2-8,14,16H,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine has a molecular weight of 306.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine is sourced from PubChem (CID 61282963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).