N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

C12H18N4OS — CID 63821061

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncsc1CN(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C12H18N4OS/c1-10-11(18-9-14-10)7-15(2)8-12(17)16(3)6-4-5-13/h9H,4,6-8H2,1-3H3
InChIKeyFIOIEICEDXZVHE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.26
Rot. Bonds6

About N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (PubChem CID 63821061) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
PubChem CID63821061
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
SMILESCc1ncsc1CN(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C12H18N4OS/c1-10-11(18-9-14-10)7-15(2)8-12(17)16(3)6-4-5-13/h9H,4,6-8H2,1-3H3
InChIKeyFIOIEICEDXZVHE-UHFFFAOYSA-N
XLogP1.26
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
CID 55259281
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
1-(4-iodophenyl)-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethanone
CID 63838016
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
2-(1,3-dioxan-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 66474937
2-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethoxy]ethanol
CID 63837503
hydrazinyl 3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 66338786

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide (CID 63821061) is N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is Cc1ncsc1CN(C)CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
The InChIKey is FIOIEICEDXZVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-10-11(18-9-14-10)7-15(2)8-12(17)16(3)6-4-5-13/h9H,4,6-8H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 63821061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).