N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine

C15H14N2S2 — CID 72720135

IUPACN-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCc3ccccc3)n2)s1
InChIInChI=1S/C15H14N2S2/c1-11-7-8-14(19-11)13-10-18-15(17-13)16-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyFOPSMQSAKIKQHU-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.79
Rot. Bonds4

About N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine

N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 72720135) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID72720135
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC NameN-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCc3ccccc3)n2)s1
InChIInChI=1S/C15H14N2S2/c1-11-7-8-14(19-11)13-10-18-15(17-13)16-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,16,17)
InChIKeyFOPSMQSAKIKQHU-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
N-benzyl-5-[[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]methyl]-1,3-thiazol-2-amine;dihydrochloride
CID 87535658
N-benzyl-5-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-1,3-thiazol-2-amine dichloride
CID 25000777
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
4-[2-(benzylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 4794352
N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603177
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339
(2-anilino-2-oxoethyl) 4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]butanoate
CID 55430327
2-formyl-3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]propanenitrile
CID 146215729

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine (CID 72720135) is N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NCc3ccccc3)n2)s1.
What is the InChIKey of N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is FOPSMQSAKIKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-11-7-8-14(19-11)13-10-18-15(17-13)16-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,16,17).
What are the key properties of N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 286.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 72720135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).