N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine

C10H11BrN2S2 — CID 104599797

IUPACN-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cc(Br)cs2)s1
InChIInChI=1S/C10H11BrN2S2/c1-2-8-4-12-10(15-8)13-5-9-3-7(11)6-14-9/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyJZSNUSANXSHJCJ-UHFFFAOYSA-N
MW303.25 g/mol
LogP4.14
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine

N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine (PubChem CID 104599797) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
PubChem CID104599797
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
SMILESCCc1cnc(NCc2cc(Br)cs2)s1
InChIInChI=1S/C10H11BrN2S2/c1-2-8-4-12-10(15-8)13-5-9-3-7(11)6-14-9/h3-4,6H,2,5H2,1H3,(H,12,13)
InChIKeyJZSNUSANXSHJCJ-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771169
N-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599768
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168951
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-[(2,5-dimethylfuran-3-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599766
N-[(4-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 115912801
N-[(4-bromothiophen-2-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362665
5-bromo-4-N-[(4-bromothiophen-2-yl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80836657
N-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65274045
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
2-[(4-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424738

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine (CID 104599797) is N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine is CCc1cnc(NCc2cc(Br)cs2)s1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
The InChIKey is JZSNUSANXSHJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-2-8-4-12-10(15-8)13-5-9-3-7(11)6-14-9/h3-4,6H,2,5H2,1H3,(H,12,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine has a molecular weight of 303.25 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 104599797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).