5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine

C11H18N2OS — CID 82727872

IUPAC5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1OCCC1NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H18N2OS/c1-7-9(4-5-14-7)13-11-12-6-10(15-11)8-2-3-8/h7-10H,2-6H2,1H3,(H,12,13)
InChIKeyCOJBPIMLOYGSKE-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.63
Rot. Bonds2

About 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 82727872) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID82727872
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1OCCC1NC1=NCC(C2CC2)S1
InChIInChI=1S/C11H18N2OS/c1-7-9(4-5-14-7)13-11-12-6-10(15-11)8-2-3-8/h7-10H,2-6H2,1H3,(H,12,13)
InChIKeyCOJBPIMLOYGSKE-UHFFFAOYSA-N
XLogP1.63
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.63
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
4-methyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534258
4-ethyl-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 43534262
4-(2-methylpropyl)-N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 61250765
5-cyclopropyl-N-(2-ethoxyethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296247
5-cyclopropyl-N-(oxan-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296248
5-cyclopropyl-N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296435
5-cyclopropyl-N-[2-(oxolan-2-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296441
5-cyclopropyl-N-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296485
5-cyclopropyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63296556
5-cyclopropyl-N-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63296576
N-(2-butoxyethyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296577

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 82727872) is 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is CC1OCCC1NC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is COJBPIMLOYGSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-9(4-5-14-7)13-11-12-6-10(15-11)8-2-3-8/h7-10H,2-6H2,1H3,(H,12,13).
What are the key properties of 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-methyloxolan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 82727872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).