2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol

C12H15FN6OS — CID 167774269

IUPAC2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol
SMILESCNc1nc(N2CCN(c3nc(O)cs3)CC2)ncc1F
InChIInChI=1S/C12H15FN6OS/c1-14-10-8(13)6-15-11(17-10)18-2-4-19(5-3-18)12-16-9(20)7-21-12/h6-7,20H,2-5H2,1H3,(H,14,15,17)
InChIKeyIBQJPAXKOJFWQQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.15
Rot. Bonds3

About 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol

2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol (PubChem CID 167774269) has the molecular formula C12H15FN6OS and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol
PubChem CID167774269
Molecular FormulaC12H15FN6OS
Molecular Weight310.36 g/mol
Exact Mass310.10
IUPAC Name2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol
SMILESCNc1nc(N2CCN(c3nc(O)cs3)CC2)ncc1F
InChIInChI=1S/C12H15FN6OS/c1-14-10-8(13)6-15-11(17-10)18-2-4-19(5-3-18)12-16-9(20)7-21-12/h6-7,20H,2-5H2,1H3,(H,14,15,17)
InChIKeyIBQJPAXKOJFWQQ-UHFFFAOYSA-N
XLogP1.15
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-methyl-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 134706201
4-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6-hydroxy-1,4-diazepan-1-yl]-4-oxobutanoic acid
CID 74249461
[(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
CID 97122572
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
CID 95557835
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769143
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784232
1'-[5-fluoro-4-(methylamino)pyrimidin-2-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70727982
2-[4-(2,2-difluorocyclopropyl)sulfonylpiperazin-1-yl]-1,3-thiazol-4-ol
CID 166357429
(S)-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99974743
1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56880429
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70747840

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol (CID 167774269) is 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol is CNc1nc(N2CCN(c3nc(O)cs3)CC2)ncc1F.
What is the InChIKey of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol?
The InChIKey is IBQJPAXKOJFWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6OS/c1-14-10-8(13)6-15-11(17-10)18-2-4-19(5-3-18)12-16-9(20)7-21-12/h6-7,20H,2-5H2,1H3,(H,14,15,17).
What are the key properties of 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol?
2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol has a molecular weight of 310.36 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol is sourced from PubChem (CID 167774269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).