N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C18H13BrN4O2S2 — CID 24594757

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H13BrN4O2S2/c19-12-3-1-11(2-4-12)14-9-27-18(21-14)22-15(24)5-7-23-10-20-16-13(17(23)25)6-8-26-16/h1-4,6,8-10H,5,7H2,(H,21,22,24)
InChIKeyHZFMJGYNZMGROW-UHFFFAOYSA-N
MW461.37 g/mol
LogP4.37
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 24594757) has the molecular formula C18H13BrN4O2S2 and a molecular weight of 461.37 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID24594757
Molecular FormulaC18H13BrN4O2S2
Molecular Weight461.37 g/mol
Exact Mass459.97
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C18H13BrN4O2S2/c19-12-3-1-11(2-4-12)14-9-27-18(21-14)22-15(24)5-7-23-10-20-16-13(17(23)25)6-8-26-16/h1-4,6,8-10H,5,7H2,(H,21,22,24)
InChIKeyHZFMJGYNZMGROW-UHFFFAOYSA-N
XLogP4.37
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24597108
N-[4-(4-bromophenoxy)phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 24594960
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 51310536
(4-bromophenyl) 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 24592470
N-(3-methoxy-1-methylpyrazol-5-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 154781264
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 41189976
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 47017293
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 35772920
N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 112807476
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78859797
3-methyl-N-[4-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]phenyl]butanamide
CID 33030651

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 24594757) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is HZFMJGYNZMGROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O2S2/c19-12-3-1-11(2-4-12)14-9-27-18(21-14)22-15(24)5-7-23-10-20-16-13(17(23)25)6-8-26-16/h1-4,6,8-10H,5,7H2,(H,21,22,24).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 461.37 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 24594757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).