2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide

C9H15N3OS — CID 42768343

IUPAC2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-3-7(2)11-6-8(13)12-9-10-4-5-14-9/h4-5,7,11H,3,6H2,1-2H3,(H,10,12,13)
InChIKeyXECIVKRBSAGVFN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.47
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide

2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 42768343) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID42768343
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-3-7(2)11-6-8(13)12-9-10-4-5-14-9/h4-5,7,11H,3,6H2,1-2H3,(H,10,12,13)
InChIKeyXECIVKRBSAGVFN-UHFFFAOYSA-N
XLogP1.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-amino-N-(1,3-thiazol-2-yl)butanamide
CID 43649283
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide (CID 42768343) is 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide is CCC(C)NCC(=O)Nc1nccs1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XECIVKRBSAGVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-7(2)11-6-8(13)12-9-10-4-5-14-9/h4-5,7,11H,3,6H2,1-2H3,(H,10,12,13).
What are the key properties of 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide?
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 213.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 42768343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).