4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine

C12H20N4OS — CID 103383271

IUPAC4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CC2CCCN2CC1C
InChIInChI=1S/C12H20N4OS/c1-8-6-15-5-3-4-9(15)7-16(8)12-10(17-2)11(13)14-18-12/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyVXXIOAZKZXDUMQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.41
Rot. Bonds2

About 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine

4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine (PubChem CID 103383271) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine
PubChem CID103383271
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CC2CCCN2CC1C
InChIInChI=1S/C12H20N4OS/c1-8-6-15-5-3-4-9(15)7-16(8)12-10(17-2)11(13)14-18-12/h8-9H,3-7H2,1-2H3,(H2,13,14)
InChIKeyVXXIOAZKZXDUMQ-UHFFFAOYSA-N
XLogP1.41
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364368
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381799
4-methoxy-5-(3-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103382023
5-[(3R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 154565619
6-methoxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 115320947
4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103384673
5-methyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940906
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridin-2-amine
CID 104540566
4-chloro-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,5-triazin-2-amine
CID 80854716
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
CID 103380881

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine (CID 103383271) is 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine is COc1c(N)nsc1N1CC2CCCN2CC1C.
What is the InChIKey of 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine?
The InChIKey is VXXIOAZKZXDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-6-15-5-3-4-9(15)7-16(8)12-10(17-2)11(13)14-18-12/h8-9H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine?
4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine has a molecular weight of 268.39 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103383271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).