2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide

C10H16N4OS — CID 123963267

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide
SMILESC=NN(C(=O)Cc1csc(N)n1)C(C)CC
InChIInChI=1S/C10H16N4OS/c1-4-7(2)14(12-3)9(15)5-8-6-16-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,13)
InChIKeyKTVVWESCRBCQIA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.51
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide (PubChem CID 123963267) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide
PubChem CID123963267
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide
SMILESC=NN(C(=O)Cc1csc(N)n1)C(C)CC
InChIInChI=1S/C10H16N4OS/c1-4-7(2)14(12-3)9(15)5-8-6-16-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,13)
InChIKeyKTVVWESCRBCQIA-UHFFFAOYSA-N
XLogP1.51
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62852454
1-(2-amino-1,3-thiazol-4-yl)propan-2-one
CID 22977217
2-(2-amino-1,3-thiazol-4-yl)-N-pentan-3-ylacetamide
CID 62797095
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62798753
acetic acid;tris(4-ethyl-1,3-thiazol-2-amine)
CID 173153334
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-(2-amino-1,3-thiazol-4-yl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 62799786
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62800141
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 62797273

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide (CID 123963267) is 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide is C=NN(C(=O)Cc1csc(N)n1)C(C)CC.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide?
The InChIKey is KTVVWESCRBCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-4-7(2)14(12-3)9(15)5-8-6-16-10(11)13-8/h6-7H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide has a molecular weight of 240.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide is sourced from PubChem (CID 123963267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).