4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C13H24N2OS — CID 61250765

IUPAC4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)C2CCCO2)=N1
InChIInChI=1S/C13H24N2OS/c1-9(2)7-11-8-17-13(15-11)14-10(3)12-5-4-6-16-12/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyCGZSNDXNVGVKDD-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.66
Rot. Bonds4

About 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61250765) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61250765
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC(C)C2CCCO2)=N1
InChIInChI=1S/C13H24N2OS/c1-9(2)7-11-8-17-13(15-11)14-10(3)12-5-4-6-16-12/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyCGZSNDXNVGVKDD-UHFFFAOYSA-N
XLogP2.66
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[2-(oxolan-2-yl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136294709
5-methyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43440025
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
5-cyclopropyl-N-(oxolan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296651
5-cyclopropyl-N-(2-methoxycyclopentyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296710
5-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296756
5-methyl-N-[1-(oxolan-2-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035700
5-methyl-N-(oxolan-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035874

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 61250765) is 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC(C)C2CCCO2)=N1.
What is the InChIKey of 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CGZSNDXNVGVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9(2)7-11-8-17-13(15-11)14-10(3)12-5-4-6-16-12/h9-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61250765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).