N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine

C10H11ClN2S2 — CID 104599768

IUPACN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2ccc(Cl)s2)s1
InChIInChI=1S/C10H11ClN2S2/c1-2-7-5-12-10(15-7)13-6-8-3-4-9(11)14-8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyFSSAYVRSIMERGG-UHFFFAOYSA-N
MW258.80 g/mol
LogP4.03
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine (PubChem CID 104599768) has the molecular formula C10H11ClN2S2 and a molecular weight of 258.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
PubChem CID104599768
Molecular FormulaC10H11ClN2S2
Molecular Weight258.80 g/mol
Exact Mass258.01
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2ccc(Cl)s2)s1
InChIInChI=1S/C10H11ClN2S2/c1-2-7-5-12-10(15-7)13-6-8-3-4-9(11)14-8/h3-5H,2,6H2,1H3,(H,12,13)
InChIKeyFSSAYVRSIMERGG-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-1,3-thiazol-2-amine
CID 83301712
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 115924701
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599797
5-ethyl-N-(pyridin-3-ylmethyl)-1,3-thiazol-2-amine
CID 104599802
5-ethyl-N-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 104599790
5-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 62047327
5-ethyl-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazol-2-amine
CID 104599771
6-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridin-3-amine
CID 115925207
N-[(5-chlorothiophen-2-yl)methyl]-3-methylpyrazin-2-amine
CID 83063465
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599766

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine (CID 104599768) is N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine is CCc1cnc(NCc2ccc(Cl)s2)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The InChIKey is FSSAYVRSIMERGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S2/c1-2-7-5-12-10(15-7)13-6-8-3-4-9(11)14-8/h3-5H,2,6H2,1H3,(H,12,13).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine has a molecular weight of 258.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 104599768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).