N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide

C9H15N3OS — CID 106278316

IUPACN,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNc1nccs1
InChIInChI=1S/C9H15N3OS/c1-9(2,7(13)10-3)6-12-8-11-4-5-14-8/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyFLAIOYLOHCACCZ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.33
Rot. Bonds4

About N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide

N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide (PubChem CID 106278316) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
PubChem CID106278316
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide
SMILESCNC(=O)C(C)(C)CNc1nccs1
InChIInChI=1S/C9H15N3OS/c1-9(2,7(13)10-3)6-12-8-11-4-5-14-8/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyFLAIOYLOHCACCZ-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-1,3-thiazole-5-carboxylic acid
CID 106280433
2-methyl-2-(1,3-thiazol-2-ylamino)propanoic acid
CID 61266713
2,2-difluoro-3-(1,3-thiazol-2-ylamino)propan-1-ol
CID 106172156
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
N,2,2-trimethyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 103823192
N,2,2-trimethyl-3-(pyrimidin-4-ylamino)propanamide
CID 106278325
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
3-methyl-3-(1,3-thiazol-2-ylamino)butanoic acid
CID 64699814
N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 43399053
2,2-diethyl-N'-(1,3-thiazol-2-yl)propane-1,3-diamine
CID 106251724

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide (CID 106278316) is N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide is CNC(=O)C(C)(C)CNc1nccs1.
What is the InChIKey of N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide?
The InChIKey is FLAIOYLOHCACCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,7(13)10-3)6-12-8-11-4-5-14-8/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide?
N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide has a molecular weight of 213.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(1,3-thiazol-2-ylamino)propanamide is sourced from PubChem (CID 106278316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).