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

C8H12N4O2S — CID 47196954

IUPACN-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
SMILESCNC(=O)CNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C8H12N4O2S/c1-5-3-11-8(15-5)12-7(14)10-4-6(13)9-2/h3H,4H2,1-2H3,(H,9,13)(H2,10,11,12,14)
InChIKeyIZDKEKQTWBUNQZ-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.32
Rot. Bonds3

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

N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide (PubChem CID 47196954) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
PubChem CID47196954
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
SMILESCNC(=O)CNC(=O)Nc1ncc(C)s1
InChIInChI=1S/C8H12N4O2S/c1-5-3-11-8(15-5)12-7(14)10-4-6(13)9-2/h3H,4H2,1-2H3,(H,9,13)(H2,10,11,12,14)
InChIKeyIZDKEKQTWBUNQZ-UHFFFAOYSA-N
XLogP0.32
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 127018306
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 37018718
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
The IUPAC name of N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide (CID 47196954) is N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide.
What is the SMILES notation for N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
The canonical SMILES for N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide is CNC(=O)CNC(=O)Nc1ncc(C)s1.
What is the InChIKey of N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
The InChIKey is IZDKEKQTWBUNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5-3-11-8(15-5)12-7(14)10-4-6(13)9-2/h3H,4H2,1-2H3,(H,9,13)(H2,10,11,12,14).
What are the key properties of N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide?
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide has a molecular weight of 228.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide is sourced from PubChem (CID 47196954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).