2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide

C16H19BrN4O3S — CID 91958793

IUPAC2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCn1c(C(=O)Nc2nnc(CC(C)C)s2)cc2oc(Br)cc21
InChIInChI=1S/C16H19BrN4O3S/c1-9(2)6-14-19-20-16(25-14)18-15(22)11-7-12-10(8-13(17)24-12)21(11)4-5-23-3/h7-9H,4-6H2,1-3H3,(H,18,20,22)
InChIKeyJYMALEWRHXJYQY-UHFFFAOYSA-N
MW427.32 g/mol
LogP3.95
Rot. Bonds7

About 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide

2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958793) has the molecular formula C16H19BrN4O3S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91958793
Molecular FormulaC16H19BrN4O3S
Molecular Weight427.32 g/mol
Exact Mass426.04
IUPAC Name2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCn1c(C(=O)Nc2nnc(CC(C)C)s2)cc2oc(Br)cc21
InChIInChI=1S/C16H19BrN4O3S/c1-9(2)6-14-19-20-16(25-14)18-15(22)11-7-12-10(8-13(17)24-12)21(11)4-5-23-3/h7-9H,4-6H2,1-3H3,(H,18,20,22)
InChIKeyJYMALEWRHXJYQY-UHFFFAOYSA-N
XLogP3.95
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 24647725
2-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-oxoisoquinoline-4-carboxamide
CID 56762472
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068299
2-(4-bromophenyl)sulfanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 26068314
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276435
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781
2-chloro-6-hydrazinyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 106262288
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
5-iodo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 113233248
3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide (CID 91958793) is 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide is COCCn1c(C(=O)Nc2nnc(CC(C)C)s2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JYMALEWRHXJYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3S/c1-9(2)6-14-19-20-16(25-14)18-15(22)11-7-12-10(8-13(17)24-12)21(11)4-5-23-3/h7-9H,4-6H2,1-3H3,(H,18,20,22).
What are the key properties of 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 427.32 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).