N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

C14H21N3O3S2 — CID 146084739

IUPACN-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCc1nc(C(=O)N2CSCC2C(=O)NC(C)(C)C)cs1
InChIInChI=1S/C14H21N3O3S2/c1-14(2,3)16-12(18)10-7-21-8-17(10)13(19)9-6-22-11(15-9)5-20-4/h6,10H,5,7-8H2,1-4H3,(H,16,18)
InChIKeyFVUGSWWJWHWUKH-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.72
Rot. Bonds4

About N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 146084739) has the molecular formula C14H21N3O3S2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID146084739
Molecular FormulaC14H21N3O3S2
Molecular Weight343.47 g/mol
Exact Mass343.10
IUPAC NameN-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCc1nc(C(=O)N2CSCC2C(=O)NC(C)(C)C)cs1
InChIInChI=1S/C14H21N3O3S2/c1-14(2,3)16-12(18)10-7-21-8-17(10)13(19)9-6-22-11(15-9)5-20-4/h6,10H,5,7-8H2,1-4H3,(H,16,18)
InChIKeyFVUGSWWJWHWUKH-UHFFFAOYSA-N
XLogP1.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-3-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 71879707
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
(4S)-N-tert-butyl-3-(5-tert-butyl-1,2-oxazole-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97318087
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 66376704
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216541
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
(4R)-N-tert-butyl-3-(6-chloro-2-methylquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97002178
(4S)-N-tert-butyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 124571790
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 167849425
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
(4R)-N-tert-butyl-3-(3-propan-2-yloxypropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95206466

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 146084739) is N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is COCc1nc(C(=O)N2CSCC2C(=O)NC(C)(C)C)cs1.
What is the InChIKey of N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FVUGSWWJWHWUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S2/c1-14(2,3)16-12(18)10-7-21-8-17(10)13(19)9-6-22-11(15-9)5-20-4/h6,10H,5,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 146084739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).