N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide

C16H19N5O2S — CID 75592309

IUPACN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CNNC1c1ccccc1)Nc1nccs1
InChIInChI=1S/C16H19N5O2S/c22-13(20-16-18-8-9-24-16)6-7-17-15(23)12-10-19-21-14(12)11-4-2-1-3-5-11/h1-5,8-9,12,14,19,21H,6-7,10H2,(H,17,23)(H,18,20,22)
InChIKeyCJMFXBRIEYCYKT-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.05
Rot. Bonds6

About N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide (PubChem CID 75592309) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
PubChem CID75592309
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide
SMILESO=C(CCNC(=O)C1CNNC1c1ccccc1)Nc1nccs1
InChIInChI=1S/C16H19N5O2S/c22-13(20-16-18-8-9-24-16)6-7-17-15(23)12-10-19-21-14(12)11-4-2-1-3-5-11/h1-5,8-9,12,14,19,21H,6-7,10H2,(H,17,23)(H,18,20,22)
InChIKeyCJMFXBRIEYCYKT-UHFFFAOYSA-N
XLogP1.05
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpyrazolidine-4-carboxamide
CID 74653127
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 91837781
3-benzylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 6498108
N-[2-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 134068392
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74241855
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide?
The IUPAC name of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide (CID 75592309) is N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide?
The canonical SMILES for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide is O=C(CCNC(=O)C1CNNC1c1ccccc1)Nc1nccs1.
What is the InChIKey of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide?
The InChIKey is CJMFXBRIEYCYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c22-13(20-16-18-8-9-24-16)6-7-17-15(23)12-10-19-21-14(12)11-4-2-1-3-5-11/h1-5,8-9,12,14,19,21H,6-7,10H2,(H,17,23)(H,18,20,22).
What are the key properties of N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide?
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-3-phenylpyrazolidine-4-carboxamide is sourced from PubChem (CID 75592309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).