N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine

C10H11ClN2S2 — CID 107360030

IUPACN-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1sccc1Cl
InChIInChI=1S/C10H11ClN2S2/c1-2-12-9(8-5-14-6-13-8)10-7(11)3-4-15-10/h3-6,9,12H,2H2,1H3
InChIKeyBBEIJZAMPZXCHN-UHFFFAOYSA-N
MW258.80 g/mol
LogP3.56
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 107360030) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID107360030
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC NameN-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1sccc1Cl
InChIInChI=1S/C10H11ClN2S2/c1-2-12-9(8-5-14-6-13-8)10-7(11)3-4-15-10/h3-6,9,12H,2H2,1H3
InChIKeyBBEIJZAMPZXCHN-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 107362132
N-[(3-chlorothiophen-2-yl)-(4-propoxyphenyl)methyl]ethanamine
CID 115853483
N-[(3-chlorothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 80529121
N-[(4-phenylphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923890
N-[(3-chlorothiophen-2-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 107361874
N-[(3-chlorothiophen-2-yl)-isoquinolin-1-ylmethyl]ethanamine
CID 107359738
N-[(3-chlorothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methyl]ethanamine
CID 80645264
N-[(3-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 80529030
N-[(3-chlorothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 80528946
N-[(3-chlorothiophen-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785064
N-[(3-chlorothiophen-2-yl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 80645044
N-[(3-chlorothiophen-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 80529029

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine (CID 107360030) is N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine is CCNC(c1cscn1)c1sccc1Cl.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is BBEIJZAMPZXCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S2/c1-2-12-9(8-5-14-6-13-8)10-7(11)3-4-15-10/h3-6,9,12H,2H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 258.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-(1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107360030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).