N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide

C12H20N2OS — CID 63683998

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC2CCC1C2)C1CSCN1
InChIInChI=1S/C12H20N2OS/c15-12(11-6-16-7-14-11)13-5-10-4-8-1-2-9(10)3-8/h8-11,14H,1-7H2,(H,13,15)
InChIKeyNFBLZLBCBZDWHW-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.20
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 63683998) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID63683998
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CC2CCC1C2)C1CSCN1
InChIInChI=1S/C12H20N2OS/c15-12(11-6-16-7-14-11)13-5-10-4-8-1-2-9(10)3-8/h8-11,14H,1-7H2,(H,13,15)
InChIKeyNFBLZLBCBZDWHW-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 55234438
(2S)-N-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119756599
N-[(2-hydroxycyclohexyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119330198
(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119290243
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
N-[[2-(methanesulfonamido)cyclopentyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119345210
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 91659376
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentane-1-carboxamide
CID 66010683

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide (CID 63683998) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC1CC2CCC1C2)C1CSCN1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NFBLZLBCBZDWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c15-12(11-6-16-7-14-11)13-5-10-4-8-1-2-9(10)3-8/h8-11,14H,1-7H2,(H,13,15).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 240.37 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 63683998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).