N-methyl-1,3-thiazol-2-amine;dihydrochloride

C4H8Cl2N2S — CID 87242270

IUPACN-methyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCNc1nccs1.Cl.Cl
InChIInChI=1S/C4H6N2S.2ClH/c1-5-4-6-2-3-7-4;;/h2-3H,1H3,(H,5,6);2*1H
InChIKeyAMKQIVQHYMJDKR-UHFFFAOYSA-N
MW187.09 g/mol
LogP2.03
Rot. Bonds1

About N-methyl-1,3-thiazol-2-amine;dihydrochloride

N-methyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87242270) has the molecular formula C4H8Cl2N2S and a molecular weight of 187.09 g/mol. Its IUPAC name is N-methyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID87242270
Molecular FormulaC4H8Cl2N2S
Molecular Weight187.09 g/mol
Exact Mass185.98
IUPAC NameN-methyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCNc1nccs1.Cl.Cl
InChIInChI=1S/C4H6N2S.2ClH/c1-5-4-6-2-3-7-4;;/h2-3H,1H3,(H,5,6);2*1H
InChIKeyAMKQIVQHYMJDKR-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4711878
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
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N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
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N-(2-chloropropyl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of N-methyl-1,3-thiazol-2-amine;dihydrochloride (CID 87242270) is N-methyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-methyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for N-methyl-1,3-thiazol-2-amine;dihydrochloride is CNc1nccs1.Cl.Cl.
What is the InChIKey of N-methyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is AMKQIVQHYMJDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.2ClH/c1-5-4-6-2-3-7-4;;/h2-3H,1H3,(H,5,6);2*1H.
What are the key properties of N-methyl-1,3-thiazol-2-amine;dihydrochloride?
N-methyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 187.09 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87242270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).