N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide

C11H21N3OS — CID 61467678

IUPACN-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCNC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C11H21N3OS/c1-7(2)5-9-6-16-11(14-9)13-8(3)10(15)12-4/h7-9H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyRDUNAXNOAQYWGF-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.23
Rot. Bonds4

About N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide

N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (PubChem CID 61467678) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
PubChem CID61467678
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide
SMILESCNC(=O)C(C)NC1=NC(CC(C)C)CS1
InChIInChI=1S/C11H21N3OS/c1-7(2)5-9-6-16-11(14-9)13-8(3)10(15)12-4/h7-9H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKeyRDUNAXNOAQYWGF-UHFFFAOYSA-N
XLogP1.23
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The IUPAC name of N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide (CID 61467678) is N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is CNC(=O)C(C)NC1=NC(CC(C)C)CS1.
What is the InChIKey of N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
The InChIKey is RDUNAXNOAQYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-7(2)5-9-6-16-11(14-9)13-8(3)10(15)12-4/h7-9H,5-6H2,1-4H3,(H,12,15)(H,13,14).
What are the key properties of N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide?
N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide has a molecular weight of 243.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-yl]amino]propanamide is sourced from PubChem (CID 61467678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).