N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine

C11H18N2OS — CID 58618043

IUPACN-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)N(CC1CCCO1)c1nccs1
InChIInChI=1S/C11H18N2OS/c1-9(2)13(11-12-5-7-15-11)8-10-4-3-6-14-10/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyHBZBXZYMKGDTEX-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.54
Rot. Bonds4

About N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine

N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58618043) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58618043
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)N(CC1CCCO1)c1nccs1
InChIInChI=1S/C11H18N2OS/c1-9(2)13(11-12-5-7-15-11)8-10-4-3-6-14-10/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyHBZBXZYMKGDTEX-UHFFFAOYSA-N
XLogP2.54
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-fluorocyclopentyl]-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 126856192
1-[(3R,4S)-4-fluorooxolan-3-yl]-4-(1,3-thiazol-2-yl)piperazine
CID 126856291
N-(4-fluorooxolan-3-yl)-N-methyl-1,3-thiazol-2-amine
CID 126857875
(1-(Thiazol-2-yl)pyrrolidin-2-yl)methanol
CID 19013442
N-[(tetrahydro-2-furanyl)methyl]-2-Thiazolamine
CID 43081850
[(2S)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 54064354
[1-(1,3-Thiazol-2-yl)pyrrolidin-3-yl] acetate
CID 66880586
N-cyclopropyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 68697616
2-[(3R)-3-ethoxypyrrolidin-1-yl]-1,3-thiazole
CID 89133920
2-(3-Ethoxyazetidin-1-yl)-1,3-thiazole
CID 89133943
3-Methyl-4-(1,3-thiazol-2-yl)morpholine
CID 130916889
2,6-Dimethyl-4-(1,3-thiazol-2-yl)morpholine
CID 131132050

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 58618043) is N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)N(CC1CCCO1)c1nccs1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is HBZBXZYMKGDTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(2)13(11-12-5-7-15-11)8-10-4-3-6-14-10/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine?
N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58618043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).