ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate

C15H22N2O3S — CID 71908484

IUPACethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCCC2)nc1C(C)C
InChIInChI=1S/C15H22N2O3S/c1-4-20-14(19)12-11(9(2)3)16-15(21-12)17-13(18)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyOVTKGMSXVBFHOE-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.57
Rot. Bonds5

About ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 71908484) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate
PubChem CID71908484
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCCC2)nc1C(C)C
InChIInChI=1S/C15H22N2O3S/c1-4-20-14(19)12-11(9(2)3)16-15(21-12)17-13(18)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyOVTKGMSXVBFHOE-UHFFFAOYSA-N
XLogP3.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[(cyclohexylcarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 824436
Ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
CID 824437
Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 824452
6-{[5-(Ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
CID 2862539
Methyl 2-amino-4-cyclopropyl-1,3-thiazole-5-carboxylate
CID 46738915
Ethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 12801682
Methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate
CID 75449176
Methyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 45089529
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 4827577
Isobutyl 4-methyl-2-(3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanamido)thiazole-5-carboxylate
CID 30865413
methyl 2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylate
CID 162655336

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate (CID 71908484) is ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C2CCCC2)nc1C(C)C.
What is the InChIKey of ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OVTKGMSXVBFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-20-14(19)12-11(9(2)3)16-15(21-12)17-13(18)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopentanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71908484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).