2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C15H21N3OS2 — CID 135115780

IUPAC2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)c1nc(CN(C)CC(=O)NCc2cccs2)cs1
InChIInChI=1S/C15H21N3OS2/c1-11(2)15-17-12(10-21-15)8-18(3)9-14(19)16-7-13-5-4-6-20-13/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)
InChIKeyQFXKRKMPTKFUOA-UHFFFAOYSA-N
MW323.49 g/mol
LogP3.08
Rot. Bonds7

About 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 135115780) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID135115780
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)c1nc(CN(C)CC(=O)NCc2cccs2)cs1
InChIInChI=1S/C15H21N3OS2/c1-11(2)15-17-12(10-21-15)8-18(3)9-14(19)16-7-13-5-4-6-20-13/h4-6,10-11H,7-9H2,1-3H3,(H,16,19)
InChIKeyQFXKRKMPTKFUOA-UHFFFAOYSA-N
XLogP3.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
N-(2,4-dimethylphenyl)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 50984695
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
2-[(6-bromo-3-pyridinyl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 166216279
3-[methyl(pyrazin-2-ylmethyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 91841122
4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid
CID 135116888
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 27095198

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 135115780) is 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is CC(C)c1nc(CN(C)CC(=O)NCc2cccs2)cs1.
What is the InChIKey of 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QFXKRKMPTKFUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-11(2)15-17-12(10-21-15)8-18(3)9-14(19)16-7-13-5-4-6-20-13/h4-6,10-11H,7-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 323.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 135115780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).