(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide

C13H17N3O2S2 — CID 97351400

IUPAC(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc2sc(NC(=O)N3CC[C@@H]([C@@H](C)O)C3)nc2s1
InChIInChI=1S/C13H17N3O2S2/c1-7-5-10-11(19-7)14-12(20-10)15-13(18)16-4-3-9(6-16)8(2)17/h5,8-9,17H,3-4,6H2,1-2H3,(H,14,15,18)/t8-,9-/m1/s1
InChIKeyOCLLSNFPBFCQOC-RKDXNWHRSA-N
MW311.43 g/mol
LogP2.90
Rot. Bonds2

About (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide

(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97351400) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID97351400
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cc2sc(NC(=O)N3CC[C@@H]([C@@H](C)O)C3)nc2s1
InChIInChI=1S/C13H17N3O2S2/c1-7-5-10-11(19-7)14-12(20-10)15-13(18)16-4-3-9(6-16)8(2)17/h5,8-9,17H,3-4,6H2,1-2H3,(H,14,15,18)/t8-,9-/m1/s1
InChIKeyOCLLSNFPBFCQOC-RKDXNWHRSA-N
XLogP2.90
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide
CID 110019200
(3R)-N-(2-chloro-6-methylphenyl)-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99634516
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 136521775
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 116672270
2-(2,6-dimethylanilino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110022871
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 112627391
2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111117369
(E)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 112627196
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
2-[[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115965885
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide (CID 97351400) is (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide is Cc1cc2sc(NC(=O)N3CC[C@@H]([C@@H](C)O)C3)nc2s1.
What is the InChIKey of (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is OCLLSNFPBFCQOC-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-7-5-10-11(19-7)14-12(20-10)15-13(18)16-4-3-9(6-16)8(2)17/h5,8-9,17H,3-4,6H2,1-2H3,(H,14,15,18)/t8-,9-/m1/s1.
What are the key properties of (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide?
(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97351400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).