N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide

C11H18N4O2S — CID 112696947

IUPACN-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H18N4O2S/c1-6-5-13-10(18-6)8(3)14-7(2)9(16)15-11(17)12-4/h5,7-8,14H,1-4H3,(H2,12,15,16,17)
InChIKeyHFMUVIMDQJVTKK-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.95
Rot. Bonds4

About N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide

N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide (PubChem CID 112696947) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
PubChem CID112696947
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
SMILESCNC(=O)NC(=O)C(C)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H18N4O2S/c1-6-5-13-10(18-6)8(3)14-7(2)9(16)15-11(17)12-4/h5,7-8,14H,1-4H3,(H2,12,15,16,17)
InChIKeyHFMUVIMDQJVTKK-UHFFFAOYSA-N
XLogP0.95
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide
CID 113251345
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-propylurea
CID 115680005
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentan-2-amine
CID 115726922
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9306303
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 103263524

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide (CID 112696947) is N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide is CNC(=O)NC(=O)C(C)NC(C)c1ncc(C)s1.
What is the InChIKey of N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide?
The InChIKey is HFMUVIMDQJVTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-6-5-13-10(18-6)8(3)14-7(2)9(16)15-11(17)12-4/h5,7-8,14H,1-4H3,(H2,12,15,16,17).
What are the key properties of N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide?
N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide has a molecular weight of 270.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propanamide is sourced from PubChem (CID 112696947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).