N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine

C20H23N5S — CID 56666787

IUPACN-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(N4CCN(C)CC4)c3)cs2)c1
InChIInChI=1S/C20H23N5S/c1-15-4-3-5-17(12-15)22-20-23-18(14-26-20)16-6-7-21-19(13-16)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11H2,1-2H3,(H,22,23)
InChIKeyVWYYYAYUCCKBCD-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.01
Rot. Bonds4

About N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine

N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 56666787) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine
PubChem CID56666787
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC NameN-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccnc(N4CCN(C)CC4)c3)cs2)c1
InChIInChI=1S/C20H23N5S/c1-15-4-3-5-17(12-15)22-20-23-18(14-26-20)16-6-7-21-19(13-16)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11H2,1-2H3,(H,22,23)
InChIKeyVWYYYAYUCCKBCD-UHFFFAOYSA-N
XLogP4.01
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine (CID 56666787) is N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccnc(N4CCN(C)CC4)c3)cs2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is VWYYYAYUCCKBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-15-4-3-5-17(12-15)22-20-23-18(14-26-20)16-6-7-21-19(13-16)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine?
N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 365.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 56666787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).