N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

C12H16N2OS2 — CID 61165801

IUPACN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(C1CSCN1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H16N2OS2/c15-12(11-7-17-8-13-11)14(10-1-2-10)5-9-3-4-16-6-9/h3-4,6,10-11,13H,1-2,5,7-8H2
InChIKeyBPPKZZNYZIJVGR-UHFFFAOYSA-N
MW268.41 g/mol
LogP1.90
Rot. Bonds4

About N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 61165801) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID61165801
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(C1CSCN1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C12H16N2OS2/c15-12(11-7-17-8-13-11)14(10-1-2-10)5-9-3-4-16-6-9/h3-4,6,10-11,13H,1-2,5,7-8H2
InChIKeyBPPKZZNYZIJVGR-UHFFFAOYSA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61214082
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 43579611
2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 61161099
N-cyclopropyl-3-piperidin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 62210423
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
N-cyclopropyl-2-oxo-N-(thiophen-3-ylmethyl)imidazolidine-1-carboxamide
CID 72717905
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 61165801) is N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(C1CSCN1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BPPKZZNYZIJVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c15-12(11-7-17-8-13-11)14(10-1-2-10)5-9-3-4-16-6-9/h3-4,6,10-11,13H,1-2,5,7-8H2.
What are the key properties of N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61165801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).