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

C10H16N4O2S — CID 91760946

IUPAC2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)CNC(N)=O
InChIInChI=1S/C10H16N4O2S/c1-3-7-8(17-6(2)14-7)4-12-9(15)5-13-10(11)16/h3-5H2,1-2H3,(H,12,15)(H3,11,13,16)
InChIKeyJEVKJRIOUMZAHF-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.30
Rot. Bonds5

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

2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (PubChem CID 91760946) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
PubChem CID91760946
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
SMILESCCc1nc(C)sc1CNC(=O)CNC(N)=O
InChIInChI=1S/C10H16N4O2S/c1-3-7-8(17-6(2)14-7)4-12-9(15)5-13-10(11)16/h3-5H2,1-2H3,(H,12,15)(H3,11,13,16)
InChIKeyJEVKJRIOUMZAHF-UHFFFAOYSA-N
XLogP0.30
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91772420
3-(2,4-dioxopyrimidin-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 91789350
(1S,3S,4S)-3-amino-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-hydroxycyclopentane-1-carboxamide
CID 155503945
3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82428151
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 91844135
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 56756846
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 56747492
N-[3-[2-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methylamino]-2-oxoethoxy]phenyl]propanamide
CID 50951360
2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 95121897
3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 118774721
(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
CID 119891888

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide (CID 91760946) is 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is CCc1nc(C)sc1CNC(=O)CNC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
The InChIKey is JEVKJRIOUMZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-3-7-8(17-6(2)14-7)4-12-9(15)5-13-10(11)16/h3-5H2,1-2H3,(H,12,15)(H3,11,13,16).
What are the key properties of 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide?
2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide has a molecular weight of 256.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 91760946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).