N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide

C9H16N2O2S — CID 81434148

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CSCN1
InChIInChI=1S/C9H16N2O2S/c12-5-9(1-2-9)4-10-8(13)7-3-14-6-11-7/h7,11-12H,1-6H2,(H,10,13)
InChIKeyFHTSOJNCIGRFGF-UHFFFAOYSA-N
MW216.31 g/mol
LogP-0.46
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 81434148) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID81434148
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CSCN1
InChIInChI=1S/C9H16N2O2S/c12-5-9(1-2-9)4-10-8(13)7-3-14-6-11-7/h7,11-12H,1-6H2,(H,10,13)
InChIKeyFHTSOJNCIGRFGF-UHFFFAOYSA-N
XLogP-0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
CID 113359665
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106101660
(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124596585
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303673
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119303951
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
CID 114125067

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 81434148) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCC1(CO)CC1)C1CSCN1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FHTSOJNCIGRFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c12-5-9(1-2-9)4-10-8(13)7-3-14-6-11-7/h7,11-12H,1-6H2,(H,10,13).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 216.31 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 81434148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).