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

C10H11BrN2S2 — CID 65168951

IUPACN-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cc(Br)cs2)sc1C
InChIInChI=1S/C10H11BrN2S2/c1-6-7(2)15-10(13-6)12-4-9-3-8(11)5-14-9/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyLRRIXRROGIYXJN-UHFFFAOYSA-N
MW303.25 g/mol
LogP4.20
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65168951) has the molecular formula C10H11BrN2S2 and a molecular weight of 303.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65168951
Molecular FormulaC10H11BrN2S2
Molecular Weight303.25 g/mol
Exact Mass301.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cc(Br)cs2)sc1C
InChIInChI=1S/C10H11BrN2S2/c1-6-7(2)15-10(13-6)12-4-9-3-8(11)5-14-9/h3,5H,4H2,1-2H3,(H,12,13)
InChIKeyLRRIXRROGIYXJN-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570644
2-[(4-bromothiophen-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424738
N-[(4-bromothiophen-2-yl)methyl]-5-ethyl-1,3-thiazol-2-amine
CID 104599797
N-[(4-bromothiophen-2-yl)methyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65274045
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
CID 115750528
N-[(4-bromothiophen-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 115912801
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 106374123
N-[(4-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 79503527
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
4-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80836890
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-[(4-bromothiophen-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60965281

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine (CID 65168951) is N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCc2cc(Br)cs2)sc1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is LRRIXRROGIYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S2/c1-6-7(2)15-10(13-6)12-4-9-3-8(11)5-14-9/h3,5H,4H2,1-2H3,(H,12,13).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 303.25 g/mol, XLogP of 4.20, 3 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]-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65168951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).