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

C15H16N4S — CID 118755451

IUPACN-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(C)n1
InChIInChI=1S/C15H16N4S/c1-11-14(13-8-9-19(2)18-13)20-15(17-11)16-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyYEGGORSWIPDVGA-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.46
Rot. Bonds4

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

N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 118755451) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
PubChem CID118755451
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2ccccc2)sc1-c1ccn(C)n1
InChIInChI=1S/C15H16N4S/c1-11-14(13-8-9-19(2)18-13)20-15(17-11)16-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyYEGGORSWIPDVGA-UHFFFAOYSA-N
XLogP3.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Adx88178
CID 46836872
N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
mGluR4-PAM-1
CID 46836562
6-Phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothiazol-2-amine
CID 712700
(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059
(3-Aminomethyl-phenyl)-[4-(2-ethylamino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 11724828
N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine
CID 746646
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
4-(1,5-Dimethyl-1H-pyrazol-4-yl)-thiazol-2-ylamine
CID 6485377
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyrimidinamine
CID 767548
N-[5-Methyl-4-(5-methyl-1H-pyrrol-3-yl)-thiazol-2-yl]-guanidine
CID 15729211
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine (CID 118755451) is N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is Cc1nc(NCc2ccccc2)sc1-c1ccn(C)n1.
What is the InChIKey of N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is YEGGORSWIPDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-11-14(13-8-9-19(2)18-13)20-15(17-11)16-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,16,17).
What are the key properties of N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine?
N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 118755451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).