2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide

C9H15N3OS — CID 63296562

IUPAC2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H15N3OS/c1-10-8(13)5-12-9-11-4-7(14-9)6-2-3-6/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyLTGVLHRNVVMXSQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.20
Rot. Bonds3

About 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide

2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide (PubChem CID 63296562) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide
PubChem CID63296562
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNC1=NCC(C2CC2)S1
InChIInChI=1S/C9H15N3OS/c1-10-8(13)5-12-9-11-4-7(14-9)6-2-3-6/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12)
InChIKeyLTGVLHRNVVMXSQ-UHFFFAOYSA-N
XLogP0.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide (CID 63296562) is 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide is CNC(=O)CNC1=NCC(C2CC2)S1.
What is the InChIKey of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide?
The InChIKey is LTGVLHRNVVMXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-10-8(13)5-12-9-11-4-7(14-9)6-2-3-6/h6-7H,2-5H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide?
2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide has a molecular weight of 213.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 63296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).