N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine

C14H18N2S2 — CID 134066061

IUPACN,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
SMILESCc1ccc(-c2csc(SCCN(C)C)n2)cc1
InChIInChI=1S/C14H18N2S2/c1-11-4-6-12(7-5-11)13-10-18-14(15-13)17-9-8-16(2)3/h4-7,10H,8-9H2,1-3H3
InChIKeyFWQWHPCSGBXNKK-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.77
Rot. Bonds5

About N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine

N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine (PubChem CID 134066061) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
PubChem CID134066061
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine
SMILESCc1ccc(-c2csc(SCCN(C)C)n2)cc1
InChIInChI=1S/C14H18N2S2/c1-11-4-6-12(7-5-11)13-10-18-14(15-13)17-9-8-16(2)3/h4-7,10H,8-9H2,1-3H3
InChIKeyFWQWHPCSGBXNKK-UHFFFAOYSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine (CID 134066061) is N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine is Cc1ccc(-c2csc(SCCN(C)C)n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
The InChIKey is FWQWHPCSGBXNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-11-4-6-12(7-5-11)13-10-18-14(15-13)17-9-8-16(2)3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine?
N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine has a molecular weight of 278.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]ethanamine is sourced from PubChem (CID 134066061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).