1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea

C15H14BrN5O2S — CID 78858222

IUPAC1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
SMILESO=C(NCCc1cn2ccccc2n1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H14BrN5O2S/c16-12-5-4-11(24-12)14(22)19-20-15(23)17-7-6-10-9-21-8-2-1-3-13(21)18-10/h1-5,8-9H,6-7H2,(H,19,22)(H2,17,20,23)
InChIKeyHNQGUVVDQPOXFU-UHFFFAOYSA-N
MW408.28 g/mol
LogP2.35
Rot. Bonds4

About 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea

1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea (PubChem CID 78858222) has the molecular formula C15H14BrN5O2S and a molecular weight of 408.28 g/mol. Its IUPAC name is 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
PubChem CID78858222
Molecular FormulaC15H14BrN5O2S
Molecular Weight408.28 g/mol
Exact Mass407.01
IUPAC Name1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
SMILESO=C(NCCc1cn2ccccc2n1)NNC(=O)c1ccc(Br)s1
InChIInChI=1S/C15H14BrN5O2S/c16-12-5-4-11(24-12)14(22)19-20-15(23)17-7-6-10-9-21-8-2-1-3-13(21)18-10/h1-5,8-9H,6-7H2,(H,19,22)(H2,17,20,23)
InChIKeyHNQGUVVDQPOXFU-UHFFFAOYSA-N
XLogP2.35
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]urea
CID 167782875
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiophene-3-carboxamide
CID 32834557
2-[(2-bromophenyl)methoxy]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 32837124
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
4-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429154
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methylthiophene-2-carboxamide
CID 31008232
2-benzoyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430937
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 39191791
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea (CID 78858222) is 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea is O=C(NCCc1cn2ccccc2n1)NNC(=O)c1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
The InChIKey is HNQGUVVDQPOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O2S/c16-12-5-4-11(24-12)14(22)19-20-15(23)17-7-6-10-9-21-8-2-1-3-13(21)18-10/h1-5,8-9H,6-7H2,(H,19,22)(H2,17,20,23).
What are the key properties of 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea?
1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea has a molecular weight of 408.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea is sourced from PubChem (CID 78858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).