N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide

C9H15N3OS — CID 119501389

IUPACN-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCNCCNC(=O)CCc1cscn1
InChIInChI=1S/C9H15N3OS/c1-10-4-5-11-9(13)3-2-8-6-14-7-12-8/h6-7,10H,2-5H2,1H3,(H,11,13)
InChIKeySOBNVFAZCQYYPQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.41
Rot. Bonds6

About N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide

N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 119501389) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
PubChem CID119501389
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
SMILESCNCCNC(=O)CCc1cscn1
InChIInChI=1S/C9H15N3OS/c1-10-4-5-11-9(13)3-2-8-6-14-7-12-8/h6-7,10H,2-5H2,1H3,(H,11,13)
InChIKeySOBNVFAZCQYYPQ-UHFFFAOYSA-N
XLogP0.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
2-[2-[3-(1,3-thiazol-4-yl)propanoylamino]ethylsulfanyl]acetic acid
CID 119241610
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
2-methyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 115731374
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624727
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397
4-methyl-2-[[3-(1,3-thiazol-4-yl)propanoylamino]methyl]pentanoic acid
CID 119252885
tert-butyl (2R)-2-hydroxy-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoate
CID 97254652
N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679477
2-[[3-(1,3-thiazol-4-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244829

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide (CID 119501389) is N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide is CNCCNC(=O)CCc1cscn1.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is SOBNVFAZCQYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-10-4-5-11-9(13)3-2-8-6-14-7-12-8/h6-7,10H,2-5H2,1H3,(H,11,13).
What are the key properties of N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide?
N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 213.31 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 119501389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).