4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine

C9H15N3OS — CID 103384334

IUPAC4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NC1CC(C)C1
InChIInChI=1S/C9H15N3OS/c1-5-3-6(4-5)11-9-7(13-2)8(10)12-14-9/h5-6,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyADVDFUTYNNQCIC-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.94
Rot. Bonds3

About 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103384334) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
PubChem CID103384334
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NC1CC(C)C1
InChIInChI=1S/C9H15N3OS/c1-5-3-6(4-5)11-9-7(13-2)8(10)12-14-9/h5-6,11H,3-4H2,1-2H3,(H2,10,12)
InChIKeyADVDFUTYNNQCIC-UHFFFAOYSA-N
XLogP1.94
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,3-dimethylcyclopentyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103384519
4-methoxy-5-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2-thiazole-3,5-diamine
CID 114096901
4-methoxy-5-N-(2-methoxycyclopentyl)-1,2-thiazole-3,5-diamine
CID 103379871
5-N-(3-methylcyclobutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103384326
5-N-(3,5-dimethylcyclohexyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103378769
3-amino-5-[(3,5-dimethylcyclohexyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359748
4-methyl-5-N-(3-methylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103363914
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103383775
5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-1,2-thiazol-3-amine
CID 103381022
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine (CID 103384334) is 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NC1CC(C)C1.
What is the InChIKey of 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ADVDFUTYNNQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5-3-6(4-5)11-9-7(13-2)8(10)12-14-9/h5-6,11H,3-4H2,1-2H3,(H2,10,12).
What are the key properties of 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 213.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(3-methylcyclobutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).