N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

C16H21N3OS2 — CID 59580620

IUPACN,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
SMILESCSCC(C)(C)C(=O)N(C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H21N3OS2/c1-11-14(19(4)15(20)16(2,3)10-21-5)22-13(18-11)12-7-6-8-17-9-12/h6-9H,10H2,1-5H3
InChIKeyQDJKBVDKUZAVFR-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.87
Rot. Bonds5

About N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide

N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (PubChem CID 59580620) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
PubChem CID59580620
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC NameN,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
SMILESCSCC(C)(C)C(=O)N(C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C16H21N3OS2/c1-11-14(19(4)15(20)16(2,3)10-21-5)22-13(18-11)12-7-6-8-17-9-12/h6-9H,10H2,1-5H3
InChIKeyQDJKBVDKUZAVFR-UHFFFAOYSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide with MolForge

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Related Compounds

S-tert-butyl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamothioate
CID 118978080
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N,2,2-trimethyl-3-methylsulfinylpropanamide
CID 59580590
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-(prop-2-enylsulfanylmethyl)butanamide
CID 91150943
tert-butyl N-[(E)-but-2-enyl]-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580814
S-tert-butyl N-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamothioate;[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-methylazanium;methane;chloride
CID 158146027
N-[4-(iodomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-N-methyl-3-methylsulfanylpropanamide
CID 89447201
tert-butyl N-[(2R)-1-[methyl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 59580687
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
tert-butyl N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;methane;[methyl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 159438782
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methyl-2-sulfanylacetamide
CID 89012295

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide (CID 59580620) is N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is CSCC(C)(C)C(=O)N(C)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
The InChIKey is QDJKBVDKUZAVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-11-14(19(4)15(20)16(2,3)10-21-5)22-13(18-11)12-7-6-8-17-9-12/h6-9H,10H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide?
N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide has a molecular weight of 335.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 59580620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).