2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide

C11H18N4O2S — CID 47124647

IUPAC2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCc1csc(NC(=O)CN(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H18N4O2S/c1-7(2)15(4-9(12)16)5-10(17)14-11-13-8(3)6-18-11/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14,17)
InChIKeySMAOXCRYCVNLFY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.59
Rot. Bonds6

About 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 47124647) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID47124647
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCc1csc(NC(=O)CN(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H18N4O2S/c1-7(2)15(4-9(12)16)5-10(17)14-11-13-8(3)6-18-11/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14,17)
InChIKeySMAOXCRYCVNLFY-UHFFFAOYSA-N
XLogP0.59
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47123357
2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81491242
methyl 2-methyl-3-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propanoate
CID 62004523
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
4-butyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4609111
N-[(2R)-butan-2-yl]-3,3-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 7396587
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
2-(1-aminopropan-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66219365
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 116652439
2-chloro-N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4052949
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4625146

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 47124647) is 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide is Cc1csc(NC(=O)CN(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is SMAOXCRYCVNLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-7(2)15(4-9(12)16)5-10(17)14-11-13-8(3)6-18-11/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14,17).
What are the key properties of 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 270.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 47124647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).