N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide

C14H23N3OS — CID 63142538

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C(C)C)cs2)CCNC1
InChIInChI=1S/C14H23N3OS/c1-4-5-14(6-7-15-9-14)12(18)17-13-16-11(8-19-13)10(2)3/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyDWFSVDFZRYZHIQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.98
Rot. Bonds5

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63142538) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63142538
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C(C)C)cs2)CCNC1
InChIInChI=1S/C14H23N3OS/c1-4-5-14(6-7-15-9-14)12(18)17-13-16-11(8-19-13)10(2)3/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyDWFSVDFZRYZHIQ-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2524078
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 857960
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclobutanecarboxamide
CID 1244149
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 1441341
N-(cyclohexylmethyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 17540966
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopentylacetamide
CID 166626463
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 35521753
N-(4-(2-(cyclohexylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 18568228
N-(4-(2-(ethylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 41227694
N-(4-{[(cyclohexylmethyl)carbamoyl]methyl}-1,3-thiazol-2-yl)-(S)-5-oxo-2-pyrrolidinecarboxamide
CID 42590173
2-(2-acetamidothiazol-4-yl)-N-(cyclohexylmethyl)acetamide
CID 44016029
N-(4-(tert-butyl)thiazol-2-yl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 44086211

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide (CID 63142538) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2nc(C(C)C)cs2)CCNC1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is DWFSVDFZRYZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-5-14(6-7-15-9-14)12(18)17-13-16-11(8-19-13)10(2)3/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 281.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).