N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C12H16N2OS — CID 2346398

IUPACN-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2=NC(C)(C)CS2)cc1
InChIInChI=1S/C12H16N2OS/c1-12(2)8-16-11(14-12)13-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyFRUWZSGHJPNFEC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.99
Rot. Bonds2

About N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2346398) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2346398
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCOc1ccc(NC2=NC(C)(C)CS2)cc1
InChIInChI=1S/C12H16N2OS/c1-12(2)8-16-11(14-12)13-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyFRUWZSGHJPNFEC-UHFFFAOYSA-N
XLogP2.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2346398) is N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is COc1ccc(NC2=NC(C)(C)CS2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is FRUWZSGHJPNFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2)8-16-11(14-12)13-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2346398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).