4-N-methoxy-1,3-thiazole-2,4-diamine

C4H7N3OS — CID 57069269

IUPAC4-N-methoxy-1,3-thiazole-2,4-diamine
SMILESCONc1csc(N)n1
InChIInChI=1S/C4H7N3OS/c1-8-7-3-2-9-4(5)6-3/h2,7H,1H3,(H2,5,6)
InChIKeyDTUUQHPPPWZRBH-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.70
Rot. Bonds2

About 4-N-methoxy-1,3-thiazole-2,4-diamine

4-N-methoxy-1,3-thiazole-2,4-diamine (PubChem CID 57069269) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 4-N-methoxy-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name4-N-methoxy-1,3-thiazole-2,4-diamine
PubChem CID57069269
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name4-N-methoxy-1,3-thiazole-2,4-diamine
SMILESCONc1csc(N)n1
InChIInChI=1S/C4H7N3OS/c1-8-7-3-2-9-4(5)6-3/h2,7H,1H3,(H2,5,6)
InChIKeyDTUUQHPPPWZRBH-UHFFFAOYSA-N
XLogP0.70
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-Thiazole-2,4-diamine hydrochloride
CID 118994
2-Methyl-1,3-thiazol-4-amine
CID 14772700
Thiazole-2,4-diamine
CID 118995
Thiazol-4-yl methoxyamine
CID 21128676
O-(4-amino-1,3-thiazol-2-yl)hydroxylamine
CID 19987746
N-[(4-amino-1,3-thiazol-2-yl)oxy]formamide
CID 20039020
4-Thiazolamine, 2-(methylthio)-
CID 50909013
(4-Amino-1,3-thiazol-2-yl)urea
CID 54445235
4-(Methylthio)-1,3-thiazol-2-amine
CID 55285798
2-Methylthiazol-4-amine hydrochloride
CID 68925149
2-Ethoxy-1,3-thiazol-4-amine
CID 70254278
2-Methoxy-1,3-thiazol-4-amine
CID 82593799

Frequently Asked Questions

What is the IUPAC name of 4-N-methoxy-1,3-thiazole-2,4-diamine?
The IUPAC name of 4-N-methoxy-1,3-thiazole-2,4-diamine (CID 57069269) is 4-N-methoxy-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 4-N-methoxy-1,3-thiazole-2,4-diamine?
The canonical SMILES for 4-N-methoxy-1,3-thiazole-2,4-diamine is CONc1csc(N)n1.
What is the InChIKey of 4-N-methoxy-1,3-thiazole-2,4-diamine?
The InChIKey is DTUUQHPPPWZRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-8-7-3-2-9-4(5)6-3/h2,7H,1H3,(H2,5,6).
What are the key properties of 4-N-methoxy-1,3-thiazole-2,4-diamine?
4-N-methoxy-1,3-thiazole-2,4-diamine has a molecular weight of 145.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methoxy-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 57069269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).