4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C11H16N2O3S — CID 75522368

IUPAC4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCC1(C)OCCO1
InChIInChI=1S/C11H16N2O3S/c1-8-9(17-7-13-8)10(14)12-4-3-11(2)15-5-6-16-11/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyFKYBHGWBJQDQKC-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.33
Rot. Bonds4

About 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 75522368) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID75522368
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCC1(C)OCCO1
InChIInChI=1S/C11H16N2O3S/c1-8-9(17-7-13-8)10(14)12-4-3-11(2)15-5-6-16-11/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyFKYBHGWBJQDQKC-UHFFFAOYSA-N
XLogP1.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 75506217
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 80711605
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
4-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117829
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 75522368) is 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCC1(C)OCCO1.
What is the InChIKey of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FKYBHGWBJQDQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-9(17-7-13-8)10(14)12-4-3-11(2)15-5-6-16-11/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75522368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).