N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine

C6H8N2OS — CID 163452036

IUPACN-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine
SMILESCC1OC1Nc1nccs1
InChIInChI=1S/C6H8N2OS/c1-4-5(9-4)8-6-7-2-3-10-6/h2-5H,1H3,(H,7,8)
InChIKeyBHKHHNDBRPSYGV-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.30
Rot. Bonds2

About N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine

N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine (PubChem CID 163452036) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine
PubChem CID163452036
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC NameN-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine
SMILESCC1OC1Nc1nccs1
InChIInChI=1S/C6H8N2OS/c1-4-5(9-4)8-6-7-2-3-10-6/h2-5H,1H3,(H,7,8)
InChIKeyBHKHHNDBRPSYGV-UHFFFAOYSA-N
XLogP1.30
TPSA37.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylcyclohexyl)-1,3-thiazol-2-amine
CID 43080192
N-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87242270
methane;N-methyl-1,3-thiazol-2-amine
CID 157106856
N-(azetidin-3-yl)-1,3-thiazol-2-amine
CID 66187030
N-(2-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 106996268
1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
CID 43635903
(1R,2S,6R,7S)-2,6-dimethyl-5-(1,3-thiazol-2-ylamino)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 71480725
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-methylselanyl-1,3-thiazol-2-amine
CID 142317624
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
1-methyl-4-(1,3-thiazol-2-ylamino)pyrrolidin-2-one
CID 130159323
N-(1,3-thiazol-2-yl)sulfamate
CID 59847899

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine (CID 163452036) is N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine is CC1OC1Nc1nccs1.
What is the InChIKey of N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine?
The InChIKey is BHKHHNDBRPSYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-4-5(9-4)8-6-7-2-3-10-6/h2-5H,1H3,(H,7,8).
What are the key properties of N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine?
N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine has a molecular weight of 156.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163452036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).