2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

C14H18N6O2S — CID 118775327

IUPAC2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCN(C)C(=O)NCC(=O)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H18N6O2S/c1-20(2)14(22)18-8-11(21)15-7-4-10-9-23-13(19-10)12-16-5-3-6-17-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,21)(H,18,22)
InChIKeyDMROMXQDDROGHJ-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.53
Rot. Bonds6

About 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 118775327) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID118775327
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCN(C)C(=O)NCC(=O)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C14H18N6O2S/c1-20(2)14(22)18-8-11(21)15-7-4-10-9-23-13(19-10)12-16-5-3-6-17-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,21)(H,18,22)
InChIKeyDMROMXQDDROGHJ-UHFFFAOYSA-N
XLogP0.53
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 91789084
1,1-dimethyl-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317361
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
N-methylsulfanyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 123831691
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 70788117
(2R)-2-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124756628
1-methyl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridine-6-carboxamide
CID 157010950
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95719042
5-fluoro-4-N,4-N-dimethyl-2-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 137334463
2-(4-ethoxyphenyl)-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110284963
N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 47059621

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 118775327) is 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is CN(C)C(=O)NCC(=O)NCCc1csc(-c2ncccn2)n1.
What is the InChIKey of 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is DMROMXQDDROGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-20(2)14(22)18-8-11(21)15-7-4-10-9-23-13(19-10)12-16-5-3-6-17-12/h3,5-6,9H,4,7-8H2,1-2H3,(H,15,21)(H,18,22).
What are the key properties of 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 334.41 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 118775327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).