1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide

C13H18N4O4S2 — CID 90513580

IUPAC1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide
SMILESCNC(=O)Cc1csc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)n1
InChIInChI=1S/C13H18N4O4S2/c1-14-11(18)4-9-7-22-13(15-9)16-12(19)8-5-17(6-8)23(20,21)10-2-3-10/h7-8,10H,2-6H2,1H3,(H,14,18)(H,15,16,19)
InChIKeySJCCWNOKPXCQSI-UHFFFAOYSA-N
MW358.45 g/mol
LogP-0.21
Rot. Bonds6

About 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide (PubChem CID 90513580) has the molecular formula C13H18N4O4S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide
PubChem CID90513580
Molecular FormulaC13H18N4O4S2
Molecular Weight358.45 g/mol
Exact Mass358.08
IUPAC Name1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide
SMILESCNC(=O)Cc1csc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)n1
InChIInChI=1S/C13H18N4O4S2/c1-14-11(18)4-9-7-22-13(15-9)16-12(19)8-5-17(6-8)23(20,21)10-2-3-10/h7-8,10H,2-6H2,1H3,(H,14,18)(H,15,16,19)
InChIKeySJCCWNOKPXCQSI-UHFFFAOYSA-N
XLogP-0.21
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1-(6-methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 121128318
N-[4-[2-(cycloheptylamino)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228156
N-[4-[2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43055200
tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040
N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 27396581
methyl 2-[2-[(1-methylpyrrolidine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 54938697
N-(4-acetamidophenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513573
methyl 2-[2-(cyclopent-3-ene-1-carbonylamino)-1,3-thiazol-4-yl]acetate
CID 64766673
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide (CID 90513580) is 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide is CNC(=O)Cc1csc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)n1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide?
The InChIKey is SJCCWNOKPXCQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4S2/c1-14-11(18)4-9-7-22-13(15-9)16-12(19)8-5-17(6-8)23(20,21)10-2-3-10/h7-8,10H,2-6H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]azetidine-3-carboxamide is sourced from PubChem (CID 90513580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).