2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide

C13H22N4O2S — CID 47455504

IUPAC2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H22N4O2S/c1-5-6-14-12(18)9(2)15-13(19)17(4)7-11-8-20-10(3)16-11/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,19)
InChIKeyCPUUVHRAQNENAV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds6

About 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide

2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide (PubChem CID 47455504) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
PubChem CID47455504
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H22N4O2S/c1-5-6-14-12(18)9(2)15-13(19)17(4)7-11-8-20-10(3)16-11/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,19)
InChIKeyCPUUVHRAQNENAV-UHFFFAOYSA-N
XLogP1.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107827210
3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856534
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46603301
(2R)-5-amino-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830779
4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pentan-2-one
CID 64696462
(2S)-3-methyl-N-[4-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
CID 71076126
3-[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 109421546
3-amino-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide;dihydrochloride
CID 120502763
1-methyl-3-[(2S)-1-(3-methylphenoxy)propan-2-yl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94991877
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107374778
3-[2-(2,6-dichlorophenyl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855145
2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]propanehydrazide
CID 63585043

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide (CID 47455504) is 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)N(C)Cc1csc(C)n1.
What is the InChIKey of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide?
The InChIKey is CPUUVHRAQNENAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-5-6-14-12(18)9(2)15-13(19)17(4)7-11-8-20-10(3)16-11/h8-9H,5-7H2,1-4H3,(H,14,18)(H,15,19).
What are the key properties of 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide?
2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 47455504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).