N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

C10H10Cl2N2S — CID 43385642

IUPACN-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2cc(Cl)cc(Cl)c2)S1
InChIInChI=1S/C10H10Cl2N2S/c1-6-5-13-10(15-6)14-9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyDEIQAUNBHPDMHU-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.90
Rot. Bonds1

About N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43385642) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43385642
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC NameN-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(Nc2cc(Cl)cc(Cl)c2)S1
InChIInChI=1S/C10H10Cl2N2S/c1-6-5-13-10(15-6)14-9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyDEIQAUNBHPDMHU-UHFFFAOYSA-N
XLogP3.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43385642) is N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(Nc2cc(Cl)cc(Cl)c2)S1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DEIQAUNBHPDMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2S/c1-6-5-13-10(15-6)14-9-3-7(11)2-8(12)4-9/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 261.18 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43385642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).