(2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C18H18N6OS — CID 30860160

IUPAC(2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18N6OS/c25-16(15-13-26-18(22-15)21-14-5-2-1-3-6-14)23-9-11-24(12-10-23)17-19-7-4-8-20-17/h1-8,13H,9-12H2,(H,21,22)
InChIKeyHDSMLCIZYWDLMV-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.64
Rot. Bonds4

About (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 30860160) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID30860160
Molecular FormulaC18H18N6OS
Molecular Weight366.45 g/mol
Exact Mass366.13
IUPAC Name(2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H18N6OS/c25-16(15-13-26-18(22-15)21-14-5-2-1-3-6-14)23-9-11-24(12-10-23)17-19-7-4-8-20-17/h1-8,13H,9-12H2,(H,21,22)
InChIKeyHDSMLCIZYWDLMV-UHFFFAOYSA-N
XLogP2.64
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Cyc-116
CID 6420138
Thiazovivin
CID 46209426
[4-(4-Methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10022738
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 10091185
4-Pyrimidinecarboxamide,2-amino-6-(4-methyl-2-thiazolyl)-n-(2-pyridinylmethyl)-
CID 11313388
2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601847
[4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-piperazin-1-yl-phenyl)-amine
CID 10090332
2-[4-[4-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 10251020
N-{3-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-ylamino]-benzyl}-acetamide
CID 10361685
Pyrimidine-4-carboxamide, 37
CID 11404621
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162648381
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162662281

Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 30860160) is (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1csc(Nc2ccccc2)n1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HDSMLCIZYWDLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c25-16(15-13-26-18(22-15)21-14-5-2-1-3-6-14)23-9-11-24(12-10-23)17-19-7-4-8-20-17/h1-8,13H,9-12H2,(H,21,22).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 366.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 30860160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).