tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate

C22H26N4O4S2 — CID 91208202

IUPACtert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCSC1C(=O)N(c1ccc(C(=O)NC2CC2)cc1)c1nccs1
InChIInChI=1S/C22H26N4O4S2/c1-22(2,3)30-21(29)25-11-13-31-19(25)18(28)26(20-23-10-12-32-20)16-8-4-14(5-9-16)17(27)24-15-6-7-15/h4-5,8-10,12,15,19H,6-7,11,13H2,1-3H3,(H,24,27)
InChIKeyWMPYJZMTCJSQJV-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate

tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate (PubChem CID 91208202) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate
PubChem CID91208202
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC Nametert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CCSC1C(=O)N(c1ccc(C(=O)NC2CC2)cc1)c1nccs1
InChIInChI=1S/C22H26N4O4S2/c1-22(2,3)30-21(29)25-11-13-31-19(25)18(28)26(20-23-10-12-32-20)16-8-4-14(5-9-16)17(27)24-15-6-7-15/h4-5,8-10,12,15,19H,6-7,11,13H2,1-3H3,(H,24,27)
InChIKeyWMPYJZMTCJSQJV-UHFFFAOYSA-N
XLogP4.01
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[phenyl(1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 123994950
pyridin-4-ylmethyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 90717753
tert-butyl 3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 66862825
tert-butyl 4-[methyl(1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 67032405
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
tert-butyl (2S)-2-acetyl-1,3-thiazolidine-3-carboxylate
CID 118137125
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl (3S)-3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylate
CID 169298596
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate (CID 91208202) is tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CCSC1C(=O)N(c1ccc(C(=O)NC2CC2)cc1)c1nccs1.
What is the InChIKey of tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
The InChIKey is WMPYJZMTCJSQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-22(2,3)30-21(29)25-11-13-31-19(25)18(28)26(20-23-10-12-32-20)16-8-4-14(5-9-16)17(27)24-15-6-7-15/h4-5,8-10,12,15,19H,6-7,11,13H2,1-3H3,(H,24,27).
What are the key properties of tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate?
tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate has a molecular weight of 474.61 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(cyclopropylcarbamoyl)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 91208202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).