2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide

C11H17N3OS2 — CID 77085318

IUPAC2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCSCc1nc(CNC(=O)CNC2CC2)cs1
InChIInChI=1S/C11H17N3OS2/c1-16-7-11-14-9(6-17-11)4-13-10(15)5-12-8-2-3-8/h6,8,12H,2-5,7H2,1H3,(H,13,15)
InChIKeyKJZIKCXHKVGKNS-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.37
Rot. Bonds7

About 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide

2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 77085318) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID77085318
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCSCc1nc(CNC(=O)CNC2CC2)cs1
InChIInChI=1S/C11H17N3OS2/c1-16-7-11-14-9(6-17-11)4-13-10(15)5-12-8-2-3-8/h6,8,12H,2-5,7H2,1H3,(H,13,15)
InChIKeyKJZIKCXHKVGKNS-UHFFFAOYSA-N
XLogP1.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (CID 77085318) is 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is CSCc1nc(CNC(=O)CNC2CC2)cs1.
What is the InChIKey of 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is KJZIKCXHKVGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-16-7-11-14-9(6-17-11)4-13-10(15)5-12-8-2-3-8/h6,8,12H,2-5,7H2,1H3,(H,13,15).
What are the key properties of 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 271.41 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 77085318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).