N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C11H17N3OS — CID 142576564

IUPACN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESC1COC(CNc2nc3c(s2)CNCC3)C1
InChIInChI=1S/C11H17N3OS/c1-2-8(15-5-1)6-13-11-14-9-3-4-12-7-10(9)16-11/h8,12H,1-7H2,(H,13,14)
InChIKeyPBCUQYWHOXKBCJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.38
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 142576564) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID142576564
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESC1COC(CNc2nc3c(s2)CNCC3)C1
InChIInChI=1S/C11H17N3OS/c1-2-8(15-5-1)6-13-11-14-9-3-4-12-7-10(9)16-11/h8,12H,1-7H2,(H,13,14)
InChIKeyPBCUQYWHOXKBCJ-UHFFFAOYSA-N
XLogP1.38
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 4885214
2-acetamido-N-(2-methoxyethyl)-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxamide
CID 56765039
4-(4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridin-2-yl)morpholine
CID 79153922
2-(Morpholin-4-yl)-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-4(5h)-thione
CID 87301721
2-(diaminomethylideneamino)-N-(1-methoxypropan-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carbothioamide
CID 87539065
5-(propan-2-yloxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 91034801
4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)morpholine
CID 118964267
5-(2-methoxyethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 130017291
(5S)-5-(aminomethyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-oxazolidin-2-one
CID 141389278
N-(oxetan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 142576215
N-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;dihydrochloride
CID 142576360
tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 142576553

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 142576564) is N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is C1COC(CNc2nc3c(s2)CNCC3)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is PBCUQYWHOXKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-8(15-5-1)6-13-11-14-9-3-4-12-7-10(9)16-11/h8,12H,1-7H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 142576564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).