2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide

C8H10BrN3O2S — CID 60975413

IUPAC2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CNCc1cc(Br)cs1
InChIInChI=1S/C8H10BrN3O2S/c9-5-1-6(15-4-5)2-11-3-7(13)12-8(10)14/h1,4,11H,2-3H2,(H3,10,12,13,14)
InChIKeyMMPGISCZSGLWGX-UHFFFAOYSA-N
MW292.16 g/mol
LogP0.80
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide

2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide (PubChem CID 60975413) has the molecular formula C8H10BrN3O2S and a molecular weight of 292.16 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide
PubChem CID60975413
Molecular FormulaC8H10BrN3O2S
Molecular Weight292.16 g/mol
Exact Mass290.97
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide
SMILESNC(=O)NC(=O)CNCc1cc(Br)cs1
InChIInChI=1S/C8H10BrN3O2S/c9-5-1-6(15-4-5)2-11-3-7(13)12-8(10)14/h1,4,11H,2-3H2,(H3,10,12,13,14)
InChIKeyMMPGISCZSGLWGX-UHFFFAOYSA-N
XLogP0.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 60691989
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-iodopropanoate
CID 103492011
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
methyl 3-[(4-bromothiophen-2-yl)methylamino]-2-chloropropanoate
CID 103491693
3-[(4-bromothiophen-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 60762193
2-[4-[[(4-bromothiophen-2-yl)methylamino]methyl]phenoxy]acetamide
CID 60958224
2-(1-aminocyclopentyl)-N-[(4-bromothiophen-2-yl)methyl]acetamide
CID 64676894
3-[(4-bromothiophen-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60926272
4-[(4-bromothiophen-2-yl)methylamino]-2-methylbut-2-enoic acid
CID 103254800
1-[4-[(4-bromothiophen-2-yl)methylamino]butyl]piperidine-4-carboxamide
CID 38065003
4-[(4-bromothiophen-2-yl)methylamino]-2-methylbutanoic acid
CID 115220747
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide (CID 60975413) is 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide is NC(=O)NC(=O)CNCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide?
The InChIKey is MMPGISCZSGLWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2S/c9-5-1-6(15-4-5)2-11-3-7(13)12-8(10)14/h1,4,11H,2-3H2,(H3,10,12,13,14).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide?
2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide has a molecular weight of 292.16 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]-N-carbamoylacetamide is sourced from PubChem (CID 60975413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).