(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide

C15H23N3O2S2 — CID 95143849

IUPAC(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CC)s1
InChIInChI=1S/C15H23N3O2S2/c1-5-9(3)16-14(19)11-7-21-8-18(11)15(20)13-10(4)17-12(6-2)22-13/h9,11H,5-8H2,1-4H3,(H,16,19)/t9-,11-/m1/s1
InChIKeySUDGTFIKYUECPO-MWLCHTKSSA-N
MW341.50 g/mol
LogP2.44
Rot. Bonds5

About (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95143849) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95143849
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC Name(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCCc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CC)s1
InChIInChI=1S/C15H23N3O2S2/c1-5-9(3)16-14(19)11-7-21-8-18(11)15(20)13-10(4)17-12(6-2)22-13/h9,11H,5-8H2,1-4H3,(H,16,19)/t9-,11-/m1/s1
InChIKeySUDGTFIKYUECPO-MWLCHTKSSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95143849) is (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide is CCc1nc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CC)s1.
What is the InChIKey of (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is SUDGTFIKYUECPO-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-5-9(3)16-14(19)11-7-21-8-18(11)15(20)13-10(4)17-12(6-2)22-13/h9,11H,5-8H2,1-4H3,(H,16,19)/t9-,11-/m1/s1.
What are the key properties of (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2R)-butan-2-yl]-3-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95143849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).