2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C12H20N4OS — CID 116652439

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C)C(CN)C2CC2)n1
InChIInChI=1S/C12H20N4OS/c1-8-7-18-12(14-8)15-11(17)6-16(2)10(5-13)9-3-4-9/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyZSSWSUNHPIQAEQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.06
Rot. Bonds6

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 116652439) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID116652439
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C)C(CN)C2CC2)n1
InChIInChI=1S/C12H20N4OS/c1-8-7-18-12(14-8)15-11(17)6-16(2)10(5-13)9-3-4-9/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyZSSWSUNHPIQAEQ-UHFFFAOYSA-N
XLogP1.06
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 116652982
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 116652517
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
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 61233173
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 47124647
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119922868
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-cyclopropylacetamide
CID 116652957
N-(4-methyl-1,3-thiazol-2-yl)-2-[methyl(1-thiophen-3-ylpropan-2-yl)amino]acetamide
CID 71864297
2-[tert-butyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 79269282
2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 116652439) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C)C(CN)C2CC2)n1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZSSWSUNHPIQAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-7-18-12(14-8)15-11(17)6-16(2)10(5-13)9-3-4-9/h7,9-10H,3-6,13H2,1-2H3,(H,14,15,17).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 116652439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).