N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide

C9H14N2O3S — CID 115668887

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2(O)CCC2)CS1
InChIInChI=1S/C9H14N2O3S/c12-7(6-4-15-8(13)11-6)10-5-9(14)2-1-3-9/h6,14H,1-5H2,(H,10,12)(H,11,13)
InChIKeyAPHQXDXVMNVTCE-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.16
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 115668887) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID115668887
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2(O)CCC2)CS1
InChIInChI=1S/C9H14N2O3S/c12-7(6-4-15-8(13)11-6)10-5-9(14)2-1-3-9/h6,14H,1-5H2,(H,10,12)(H,11,13)
InChIKeyAPHQXDXVMNVTCE-UHFFFAOYSA-N
XLogP-0.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
N-[(1-hydroxycyclobutyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107437701
ethyl 2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 60817082
N-(2-azidoethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 61342320
N-(3-aminobutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63253701
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
N-[(1-hydroxycycloheptyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993929
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
2-oxo-N-(2-piperidin-4-yloxyethyl)-1,3-thiazolidine-4-carboxamide
CID 55250991
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
2-oxo-N-pent-4-yn-2-yl-1,3-thiazolidine-4-carboxamide
CID 115668999
2-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 59802642

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 115668887) is N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC2(O)CCC2)CS1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is APHQXDXVMNVTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c12-7(6-4-15-8(13)11-6)10-5-9(14)2-1-3-9/h6,14H,1-5H2,(H,10,12)(H,11,13).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 115668887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).