5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H16N2OS — CID 43440025

IUPAC5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2CCCO2)S1
InChIInChI=1S/C9H16N2OS/c1-7-5-10-9(13-7)11-6-8-3-2-4-12-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyCPQBLBAHGQWOLK-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.25
Rot. Bonds2

About 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440025) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440025
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC2CCCO2)S1
InChIInChI=1S/C9H16N2OS/c1-7-5-10-9(13-7)11-6-8-3-2-4-12-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyCPQBLBAHGQWOLK-UHFFFAOYSA-N
XLogP1.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338705
N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148985
4-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534258
5-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534259
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534262
N-[1-(oxolan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43534263
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534264
1-(3-Methylsulfanylbutyl)-2-(oxolan-2-ylmethyl)guanidine
CID 53541624
4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61250765
N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61611926
5-methyl-N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61611953
N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61787235

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43440025) is 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCC2CCCO2)S1.
What is the InChIKey of 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CPQBLBAHGQWOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7-5-10-9(13-7)11-6-8-3-2-4-12-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).