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

C12H16BrN3S2 — CID 79771169

IUPAC5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(C)Cc2cc(Br)cs2)s1
InChIInChI=1S/C12H16BrN3S2/c1-3-14-12-15-5-11(18-12)7-16(2)6-10-4-9(13)8-17-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyBFWQBZCYGNHNRZ-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.03
Rot. Bonds6

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

5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine (PubChem CID 79771169) has the molecular formula C12H16BrN3S2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
PubChem CID79771169
Molecular FormulaC12H16BrN3S2
Molecular Weight346.32 g/mol
Exact Mass345.00
IUPAC Name5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(C)Cc2cc(Br)cs2)s1
InChIInChI=1S/C12H16BrN3S2/c1-3-14-12-15-5-11(18-12)7-16(2)6-10-4-9(13)8-17-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
InChIKeyBFWQBZCYGNHNRZ-UHFFFAOYSA-N
XLogP4.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599797
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771653
N-ethyl-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79771666
2-[2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-methylamino]ethoxy]ethanol
CID 114243629
N'-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79772041
1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80613669
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79771258
N-ethyl-5-[[ethyl(2-methylpropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771732
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
2-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl-propan-2-ylamino]acetamide
CID 79771464
5-[[methyl(2-methylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771643

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine (CID 79771169) is 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine is CCNc1ncc(CN(C)Cc2cc(Br)cs2)s1.
What is the InChIKey of 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is BFWQBZCYGNHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S2/c1-3-14-12-15-5-11(18-12)7-16(2)6-10-4-9(13)8-17-10/h4-5,8H,3,6-7H2,1-2H3,(H,14,15).
What are the key properties of 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine?
5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 346.32 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79771169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).