N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine

C15H13N3S — CID 746646

IUPACN-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(CNc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C15H13N3S/c1-2-5-12(6-3-1)9-17-15-18-14(11-19-15)13-7-4-8-16-10-13/h1-8,10-11H,9H2,(H,17,18)
InChIKeyBKJUOMQIAKMYAW-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.82
Rot. Bonds4

About N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine

N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 746646) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID746646
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESc1ccc(CNc2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C15H13N3S/c1-2-5-12(6-3-1)9-17-15-18-14(11-19-15)13-7-4-8-16-10-13/h1-8,10-11H,9H2,(H,17,18)
InChIKeyBKJUOMQIAKMYAW-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 704473
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CID 119368
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CID 68902
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CID 738483
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CID 1092459
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CID 701015
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CID 447958
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CID 600616
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CID 619921
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CID 790259
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CID 556143
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CID 750531
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 746646) is N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine is c1ccc(CNc2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is BKJUOMQIAKMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-2-5-12(6-3-1)9-17-15-18-14(11-19-15)13-7-4-8-16-10-13/h1-8,10-11H,9H2,(H,17,18).
What are the key properties of N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 746646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).