N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C8H12N2O2S — CID 130977762

IUPACN-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2CC2)CS1
InChIInChI=1S/C8H12N2O2S/c11-7(9-3-5-1-2-5)6-4-13-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)
InChIKeyNHRNVIZCLKJNGU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.34
Rot. Bonds3

About N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 130977762) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID130977762
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2CC2)CS1
InChIInChI=1S/C8H12N2O2S/c11-7(9-3-5-1-2-5)6-4-13-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)
InChIKeyNHRNVIZCLKJNGU-UHFFFAOYSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 62541103
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 115668887
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103548516
2-oxo-N-(2-piperidin-4-yloxyethyl)-1,3-thiazolidine-4-carboxamide
CID 55250991
2-oxo-N-(1H-pyrazol-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61004650
N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 61342320
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
(4R)-2-oxo-N-piperidin-4-yl-1,3-thiazolidine-4-carboxamide
CID 93274619
N-(1-aminobutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65193356

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 130977762) is N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC2CC2)CS1.
What is the InChIKey of N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is NHRNVIZCLKJNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c11-7(9-3-5-1-2-5)6-4-13-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12).
What are the key properties of N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 130977762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).