2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide

C8H12N4O2S — CID 61284261

IUPAC2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1nccs1
InChIInChI=1S/C8H12N4O2S/c9-5(3-6(10)13)8(14)12-4-7-11-1-2-15-7/h1-2,5H,3-4,9H2,(H2,10,13)(H,12,14)
InChIKeyOCFWNFDBDZBFCV-UHFFFAOYSA-N
MW228.28 g/mol
LogP-1.04
Rot. Bonds5

About 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide

2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide (PubChem CID 61284261) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
PubChem CID61284261
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide
SMILESNC(=O)CC(N)C(=O)NCc1nccs1
InChIInChI=1S/C8H12N4O2S/c9-5(3-6(10)13)8(14)12-4-7-11-1-2-15-7/h1-2,5H,3-4,9H2,(H2,10,13)(H,12,14)
InChIKeyOCFWNFDBDZBFCV-UHFFFAOYSA-N
XLogP-1.04
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 104903307
(2S)-2-amino-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 79023405
2-amino-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283682
(2R)-2-amino-3-phenyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 78985618
(2R)-2-amino-4-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 104908214
2-amino-4-phenyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 114927829
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381665
2-amino-N-(pyridin-2-ylmethyl)butanediamide
CID 60847401
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
2-amino-N-(1H-pyrazol-5-ylmethyl)butanediamide
CID 61285108

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide?
The IUPAC name of 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide (CID 61284261) is 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide.
What is the SMILES notation for 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide?
The canonical SMILES for 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide is NC(=O)CC(N)C(=O)NCc1nccs1.
What is the InChIKey of 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide?
The InChIKey is OCFWNFDBDZBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c9-5(3-6(10)13)8(14)12-4-7-11-1-2-15-7/h1-2,5H,3-4,9H2,(H2,10,13)(H,12,14).
What are the key properties of 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide?
2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide has a molecular weight of 228.28 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-thiazol-2-ylmethyl)butanediamide is sourced from PubChem (CID 61284261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).