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

C11H19N3OS — CID 104584894

IUPACN-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide
SMILESCNC(=O)CC(C)NCC(C)c1nccs1
InChIInChI=1S/C11H19N3OS/c1-8(11-13-4-5-16-11)7-14-9(2)6-10(15)12-3/h4-5,8-9,14H,6-7H2,1-3H3,(H,12,15)
InChIKeyOOCJSRQLORBGKJ-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.36
Rot. Bonds6

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

N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide (PubChem CID 104584894) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide.

Molecular Properties

Compound NameN-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide
PubChem CID104584894
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide
SMILESCNC(=O)CC(C)NCC(C)c1nccs1
InChIInChI=1S/C11H19N3OS/c1-8(11-13-4-5-16-11)7-14-9(2)6-10(15)12-3/h4-5,8-9,14H,6-7H2,1-3H3,(H,12,15)
InChIKeyOOCJSRQLORBGKJ-UHFFFAOYSA-N
XLogP1.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
CID 104584995
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 114127126

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide?
The IUPAC name of N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide (CID 104584894) is N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide.
What is the SMILES notation for N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide?
The canonical SMILES for N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide is CNC(=O)CC(C)NCC(C)c1nccs1.
What is the InChIKey of N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide?
The InChIKey is OOCJSRQLORBGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(11-13-4-5-16-11)7-14-9(2)6-10(15)12-3/h4-5,8-9,14H,6-7H2,1-3H3,(H,12,15).
What are the key properties of N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide?
N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide has a molecular weight of 241.36 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide is sourced from PubChem (CID 104584894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).