4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C17H23N3OS — CID 175751431

IUPAC4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1cc2sc(C3CC3)nc2n1C1CCCCCCC1
InChIInChI=1S/C17H23N3OS/c18-15(21)13-10-14-16(19-17(22-14)11-8-9-11)20(13)12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H2,18,21)
InChIKeyPAEAMTVQQQPATQ-UHFFFAOYSA-N
MW317.46 g/mol
LogP4.36
Rot. Bonds3

About 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide

4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 175751431) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID175751431
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESNC(=O)c1cc2sc(C3CC3)nc2n1C1CCCCCCC1
InChIInChI=1S/C17H23N3OS/c18-15(21)13-10-14-16(19-17(22-14)11-8-9-11)20(13)12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H2,18,21)
InChIKeyPAEAMTVQQQPATQ-UHFFFAOYSA-N
XLogP4.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 146308430
CID 146308430
CID 137646490
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CID 175742918
CID 175742918
CID 156196366
CID 156196366
CID 156196416
CID 156196416
CID 156196550
CID 156196550
CID 156196577
CID 156196577
CID 163201796
CID 163201796
CID 163202170
CID 163202170
CID 163202171
CID 163202171
CID 163202354
CID 163202354
CID 163201826
CID 163201826

Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 175751431) is 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide is NC(=O)c1cc2sc(C3CC3)nc2n1C1CCCCCCC1.
What is the InChIKey of 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is PAEAMTVQQQPATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c18-15(21)13-10-14-16(19-17(22-14)11-8-9-11)20(13)12-6-4-2-1-3-5-7-12/h10-12H,1-9H2,(H2,18,21).
What are the key properties of 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyl-2-cyclopropylpyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 175751431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).