2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide

C10H18N4OS — CID 79771545

IUPAC2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
SMILESCCCNc1ncc(CN(C)CC(N)=O)s1
InChIInChI=1S/C10H18N4OS/c1-3-4-12-10-13-5-8(16-10)6-14(2)7-9(11)15/h5H,3-4,6-7H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyOKVXDYMWZWDQEQ-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.88
Rot. Bonds7

About 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide

2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide (PubChem CID 79771545) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
PubChem CID79771545
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide
SMILESCCCNc1ncc(CN(C)CC(N)=O)s1
InChIInChI=1S/C10H18N4OS/c1-3-4-12-10-13-5-8(16-10)6-14(2)7-9(11)15/h5H,3-4,6-7H2,1-2H3,(H2,11,15)(H,12,13)
InChIKeyOKVXDYMWZWDQEQ-UHFFFAOYSA-N
XLogP0.88
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide?
The IUPAC name of 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide (CID 79771545) is 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide?
The canonical SMILES for 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide is CCCNc1ncc(CN(C)CC(N)=O)s1.
What is the InChIKey of 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide?
The InChIKey is OKVXDYMWZWDQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-4-12-10-13-5-8(16-10)6-14(2)7-9(11)15/h5H,3-4,6-7H2,1-2H3,(H2,11,15)(H,12,13).
What are the key properties of 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide?
2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide has a molecular weight of 242.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]acetamide is sourced from PubChem (CID 79771545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).