4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine

C12H20N4OS — CID 103381799

IUPAC4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H20N4OS/c1-17-10-11(13)14-18-12(10)16-7-4-9(8-16)15-5-2-3-6-15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeySSHKJIOIQYPFGI-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.41
Rot. Bonds3

About 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine

4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103381799) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103381799
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CCC(N2CCCC2)C1
InChIInChI=1S/C12H20N4OS/c1-17-10-11(13)14-18-12(10)16-7-4-9(8-16)15-5-2-3-6-15/h9H,2-8H2,1H3,(H2,13,14)
InChIKeySSHKJIOIQYPFGI-UHFFFAOYSA-N
XLogP1.41
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
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

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Related Compounds

5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
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
4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103384673
5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-1,2-thiazol-3-amine
CID 103381022
5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
CID 103380881
N-[[1-(3-amino-4-methoxy-1,2-thiazol-5-yl)piperidin-4-yl]methyl]acetamide
CID 103384866
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383282
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
CID 103505458
4-(3-amino-4-methoxy-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103384693
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361617
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103381799) is 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine is COc1c(N)nsc1N1CCC(N2CCCC2)C1.
What is the InChIKey of 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is SSHKJIOIQYPFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-17-10-11(13)14-18-12(10)16-7-4-9(8-16)15-5-2-3-6-15/h9H,2-8H2,1H3,(H2,13,14).
What are the key properties of 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 268.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103381799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).