3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C11H13N3OS2 — CID 110678667

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS2/c1-7-5-17-11(12-7)14-10(15)4-3-9-6-16-8(2)13-9/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyIBZPTZAMZARISO-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.79
Rot. Bonds4

About 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110678667) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID110678667
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCc2csc(C)n2)n1
InChIInChI=1S/C11H13N3OS2/c1-7-5-17-11(12-7)14-10(15)4-3-9-6-16-8(2)13-9/h5-6H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyIBZPTZAMZARISO-UHFFFAOYSA-N
XLogP2.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110675542
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27377304
N-(2,4-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332846
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670
N-(4-bromophenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
CID 71946726
N-(2-methoxyethyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332684
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
N-(2-ethoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110332800

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 110678667) is 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCc2csc(C)n2)n1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is IBZPTZAMZARISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-7-5-17-11(12-7)14-10(15)4-3-9-6-16-8(2)13-9/h5-6H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 267.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110678667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).