N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C16H23N3OS — CID 42652289

IUPACN-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCCCCCC(C)NC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C16H23N3OS/c1-3-4-5-8-13(2)18-15(20)11-14-12-17-16(21-14)19-9-6-7-10-19/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyVAYUOXCECZFWMB-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.56
Rot. Bonds8

About N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 42652289) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID42652289
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCCCCCC(C)NC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C16H23N3OS/c1-3-4-5-8-13(2)18-15(20)11-14-12-17-16(21-14)19-9-6-7-10-19/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,18,20)
InChIKeyVAYUOXCECZFWMB-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053307
N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 94649440
2-(4-aminopyrazol-1-yl)-N-heptan-2-ylacetamide
CID 43575022
N-dodecan-2-ylpropanamide
CID 174988669
N-heptan-2-yl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66152125
3-amino-N-heptan-2-ylbutanamide
CID 60836862
N-heptan-2-yldodecanamide
CID 3484810
2-(4-cyanophenyl)-N-heptan-2-ylacetamide
CID 62404717
N-octadecan-2-ylhexadecanamide
CID 87600664
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
N'-[(2R)-heptan-2-yl]-N-pyridin-3-ylbutanediamide
CID 40595898
5-chloro-N-heptan-2-ylpentanamide
CID 43578895

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 42652289) is N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is CCCCCC(C)NC(=O)Cc1cnc(-n2cccc2)s1.
What is the InChIKey of N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is VAYUOXCECZFWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-4-5-8-13(2)18-15(20)11-14-12-17-16(21-14)19-9-6-7-10-19/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3,(H,18,20).
What are the key properties of N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 42652289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).