N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide

C10H17N3OS — CID 115724465

IUPACN-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
SMILESCNC(=O)CC(C)NCc1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-7(4-9(14)11-3)12-6-10-13-5-8(2)15-10/h5,7,12H,4,6H2,1-3H3,(H,11,14)
InChIKeyPPPNVAMTBHHUIL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.07
Rot. Bonds5

About N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide

N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide (PubChem CID 115724465) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
PubChem CID115724465
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
SMILESCNC(=O)CC(C)NCc1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-7(4-9(14)11-3)12-6-10-13-5-8(2)15-10/h5,7,12H,4,6H2,1-3H3,(H,11,14)
InChIKeyPPPNVAMTBHHUIL-UHFFFAOYSA-N
XLogP1.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
CID 75424353
6,6,6-trifluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]hexan-2-amine
CID 104924918
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
3-[(5-chloro-2-pyridinyl)methylamino]-N-methylbutanamide
CID 115906699
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
[4-[1-[(5-methyl-1,3-thiazol-2-yl)methylamino]ethyl]phenyl]urea
CID 103786277
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97008333
N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide
CID 104584894
1-(3,3-dimethylbutan-2-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71868255

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide?
The IUPAC name of N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide (CID 115724465) is N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide.
What is the SMILES notation for N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide?
The canonical SMILES for N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide is CNC(=O)CC(C)NCc1ncc(C)s1.
What is the InChIKey of N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide?
The InChIKey is PPPNVAMTBHHUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(4-9(14)11-3)12-6-10-13-5-8(2)15-10/h5,7,12H,4,6H2,1-3H3,(H,11,14).
What are the key properties of N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide?
N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide has a molecular weight of 227.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide is sourced from PubChem (CID 115724465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).